4-(Aminomethyl)benzoic acid supplier

Name
4-(Aminomethyl)benzoic acid
EINECS 200-297-9
CAS No. 56-91-7
Article Data30
CAS DataBase
Density 1.239 g/cm³
Solubility Slightly soluble in water. Insoluble in ethanol, benzene and chloroform.
Melting Point ≥300 °C(lit.)
Formula C₈H₉NO₂
Boiling Point 323.1 °C at 760 mmHg
Molecular Weight 151.165
Flash Point 149.2 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms p-Toluicacid, a-amino- (6CI,8CI);4-(Aminomethyl)benzoic acid;4-Carboxybenzylamine;Aminomethylbenzoic acid;Benzylamine-4-carboxylic acid;Gumbix;NSC 41629;PAMBA;Styptopur;p-(Aminomethyl)benzoic acid;p-Carboxybenzylamine;a-Amino-p-toluic acid;
PSA 63.32000
LogP 1.54380

Synthetic route

: 99-94-5
p-Toluic acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With ammonium peroxydisulfate; 2,2'-azobis-(2,4-dimethylvaleronitrile); hydrogen bromide In tetrachloromethane at 45℃; for 15h; Solvent; Reagent/catalyst; Temperature;	98%
Multi-step reaction with 2 steps 1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 2 h / 80 °C 2: triethylamine; potassium carbonate / tetrachloromethane / 4 h / 25 °C View Scheme

: 53148-13-3
4-(hydroxyiminomethyl)benzoic acid methyl ester

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-(hydroxyiminomethyl)benzoic acid methyl ester With water; hydrogen; sodium hydroxide; 5%-palladium/activated carbon at 20℃; under 7355.72 Torr; for 3.5h; Stage #2: With hydrogenchloride In water pH=7;	95.8%
With water; hydrogen; sodium hydroxide; 5%-palladium/activated carbon at 20℃; under 7355.72 Torr; for 3.5h; Conversion of starting material;

: 6232-88-8
4-bromomethylbenzoic Acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With potassium carbonate; triethylamine In tetrachloromethane at 25℃; for 4h; Temperature;	95.32%
With ammonium hydroxide

: 366-84-7
ethyl 4-(aminomethyl)benzoate

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With sulfuric acid at 80℃; for 1h; Temperature;	91%
With sulfuric acid at 80℃; for 1h;	78.35%

: 18469-52-8
methyl 4-(aminomethyl)benzoate

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With sulfuric acid at 50℃; for 1.5h;	87%
With sodium hydroxide; water

: 619-65-8
4-cyanobenzoic Acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With hydrogen; Raney Nickel In methanol for 16h;	84%
With ammonium hydroxide; nickel Hydrogenation;
In ethanol

: 1129-35-7
4-cyanobenzoic acid methyl ester

A: 56-91-7
p-aminomethylbenzoic acid

B: 18469-52-8
methyl 4-(aminomethyl)benzoate

C: methyl 4-((4-(aminomethyl)benzamido)methyl)benzoate

Conditions

Conditions	Yield
With ammonia; nickel	A 21.9% B 44.3% C 6.2%

...Expand

: 3477-93-8
p-carboxybenzaldehyde oxime

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With palladium on activated charcoal; ethanol Hydrogenation;

: 303795-50-8
4-[(2-carboxy-benzoylamino)-methyl]-benzoic acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride at 200℃; im Druckrohr;

: 100-97-0
hexamethylenetetramine

4-iodomethyl-benzoic acid ethyl ester: 4-iodomethyl-benzoic acid ethyl ester

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; chloroform

: 7647-01-0
hydrogenchloride

: 303795-50-8
4-[(2-carboxy-benzoylamino)-methyl]-benzoic acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
at 200℃;

: 619-66-9
4-Carboxybenzaldehyde

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Stage #1: 4-Carboxybenzaldehyde With Rink resin; trimethyl orthoformate at 25℃; for 2h; Stage #2: With lithium borohydride In tetrahydrofuran at 65℃; for 5h; Stage #3: With trifluoroacetic acid In dichloromethane at 25℃;

: 150-13-0
4-amino-benzoic acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH solution; nickel (II)-sulfate; water / Diazotization.weiteres Reagens: wss. Salzsaeure; anschliessendes Erwaermen 2: Raney nickel; aqueous ammonia / Hydrogenation View Scheme

: 17201-43-3
4-cyanobenzyl bromide

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aqueous hydrochloric acid 2: aqueous ammonia View Scheme

: 10406-25-4
4-aminobenzyl cyanide

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide; sulfuric acid

: 1571-08-0
methyl 4-formylbenzoate

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: hydroxylamine hydrochloride / water; methanol / 2 h / 25 - 35 °C 1.2: pH 7.5 - 8 2.1: hydrogen; sodium hydroxide; water / 5%-palladium/activated carbon / 3.5 h / 20 °C / 7355.72 Torr 2.2: pH 7 View Scheme
Multi-step reaction with 2 steps 1.1: hydroxylamine hydrochloride / 5%-palladium/activated carbon / water; methanol / 2 h / 25 - 35 °C 1.2: pH 7.5 - 8 2.1: hydrogen; sodium hydroxide; water / 5%-palladium/activated carbon / 3.5 h / 20 °C / 7355.72 Torr View Scheme

: 53148-13-3
4-(hydroxyiminomethyl)benzoic acid methyl ester

A: 56-91-7
p-aminomethylbenzoic acid

B: 3477-93-8
p-carboxybenzaldehyde oxime

Conditions

Conditions	Yield
With hydrogen; sodium hydroxide; 5%-palladium/activated carbon In water at 20℃; under 7355.72 Torr; for 8.5h; Conversion of starting material;

: 2627-86-3
(S)-1-phenyl-ethylamine

: 619-66-9
4-Carboxybenzaldehyde

A: 56-91-7
p-aminomethylbenzoic acid

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
With pyridoxal 5'-phosphate; recombinant ω-transaminase from Burkholderia vietnamiensis G4 In aq. phosphate buffer at 37℃; for 0.0833333h; pH=7.4; Enzymatic reaction;

...Expand

: 42967-55-5
monomethyl monopotassium terephthalate

A: 56-91-7
p-aminomethylbenzoic acid

B: 18469-52-8
methyl 4-(aminomethyl)benzoate

C: methyl 4-((4-(aminomethyl)benzamido)methyl)benzoate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: bis(trichloromethyl) carbonate / toluene; N,N-dimethyl-formamide / Reflux 2: ammonia / water / 1.5 h / 0 - 20 °C 3: acetic anhydride / Reflux 4: ammonia; nickel View Scheme

...Expand

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

A: 56-91-7
p-aminomethylbenzoic acid

B: 18469-52-8
methyl 4-(aminomethyl)benzoate

C: methyl 4-((4-(aminomethyl)benzamido)methyl)benzoate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: potassium hydroxide / methanol / 45 - 50 °C 2: bis(trichloromethyl) carbonate / toluene; N,N-dimethyl-formamide / Reflux 3: ammonia / water / 1.5 h / 0 - 20 °C 4: acetic anhydride / Reflux 5: ammonia; nickel View Scheme
Multi-step reaction with 5 steps 1: potassium hydroxide / methanol; toluene / 5.5 h / 45 - 50 °C 2: bis(trichloromethyl) carbonate / toluene; N,N-dimethyl-formamide / Reflux 3: ammonia / water / 1.5 h / 0 - 20 °C 4: acetic anhydride / Reflux 5: ammonia; nickel View Scheme

...Expand

: 7377-26-6
4-Methoxycarbonylbenzoyl chloride

A: 56-91-7
p-aminomethylbenzoic acid

B: 18469-52-8
methyl 4-(aminomethyl)benzoate

C: methyl 4-((4-(aminomethyl)benzamido)methyl)benzoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ammonia / water / 1.5 h / 0 - 20 °C 2: acetic anhydride / Reflux 3: ammonia; nickel View Scheme

...Expand

: 6757-31-9
methyl-4-carbamoylbenzoate

A: 56-91-7
p-aminomethylbenzoic acid

B: 18469-52-8
methyl 4-(aminomethyl)benzoate

C: methyl 4-((4-(aminomethyl)benzamido)methyl)benzoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic anhydride / Reflux 2: ammonia; nickel View Scheme

...Expand

: 34040-64-7
p-methyloxycarbonylbenzyl chloride

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine; 5-methyl-1,3,4-thiadiazol-2-amine / ethanol; water / 0.5 h / 100 °C 2: sulfuric acid / 1.5 h / 50 °C View Scheme

: 1201-90-7
ethyl 4-chloromethylbenzoate

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine; 5-methyl-1,3,4-thiadiazol-2-amine / ethanol; water / 1.5 h / 80 °C 2: sulfuric acid / 1 h / 80 °C View Scheme

: 85-44-9
phthalic anhydride

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: water; sodium hydroxide / 3 h / 80 - 150 °C 2: ammonium hydroxide / 1 h / 180 °C 3: aluminum (III) chloride / diethyl ether / 1 h / 40 °C 4: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 2 h / 80 °C 5: triethylamine; potassium carbonate / tetrachloromethane / 4 h / 25 °C View Scheme

: 65-85-0
benzoic acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aluminum (III) chloride / diethyl ether / 1 h / 40 °C 2: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 2 h / 80 °C 3: triethylamine; potassium carbonate / tetrachloromethane / 4 h / 25 °C View Scheme

: 88-99-3
benzene-1,2-dicarboxylic acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: ammonium hydroxide / 1 h / 180 °C 2: aluminum (III) chloride / diethyl ether / 1 h / 40 °C 3: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 2 h / 80 °C 4: triethylamine; potassium carbonate / tetrachloromethane / 4 h / 25 °C View Scheme

: 1642-81-5
p-(chloromethyl)benzoic acid

: 56-91-7
p-aminomethylbenzoic acid

Conditions

Conditions	Yield
Stage #1: p-(chloromethyl)benzoic acid With hexamethylenetetramine In methanol; water for 1h; Stage #2: With ammonia In methanol; water at 50 - 60℃;

: 67-56-1
methanol

: 56-91-7
p-aminomethylbenzoic acid

: 6232-11-7
methyl 4-(aminomethyl)benzoate hydrochloride

Conditions

Conditions	Yield
With thionyl chloride at 0 - 20℃; for 24h;	100%
With thionyl chloride at 20℃; for 96h;	99%
With thionyl chloride at 0℃; for 24h; Reflux;	99%

: 56-91-7
p-aminomethylbenzoic acid

: 5965-65-1, 42776-28-3, 52762-22-8
lactobionolactone

: 173543-54-9
lactoseamidemethylbenzoic acid

Conditions

Conditions	Yield
In dimethyl sulfoxide at 130 - 150℃; for 3h;	100%

: 56-91-7
p-aminomethylbenzoic acid

: 28920-43-6
(fluorenylmethoxy)carbonyl chloride

: 164470-64-8
N-(9-fluorenylmethyloxycarbonyl)-4-(aminomethyl)benzoic acid

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water	100%
With sodium carbonate In 1,4-dioxane; water at 20℃; for 12h;	90%
With sodium hydrogencarbonate In 1,4-dioxane at 0℃; for 3h;	68.1%

: 56-91-7
p-aminomethylbenzoic acid

: 292638-85-8
acrylic acid methyl ester

: 4-{[bis-(2-methoxycarbonyl-ethyl)-amino]-methyl}-benzoic acid

Conditions

Conditions	Yield
In methanol at 20℃; for 12h;	100%

: 56-91-7
p-aminomethylbenzoic acid

: 79-30-1
isobutyryl chloride

: 908495-37-4
4-[(isobutyrylamino)methyl]benzoic acid

Conditions

Conditions	Yield
Stage #1: p-aminomethylbenzoic acid; isobutyryl chloride With triethylamine In dichloromethane for 132h; Stage #2: With hydrogenchloride In dichloromethane; water; ethyl acetate pH=1;	100%

: 56-91-7
p-aminomethylbenzoic acid

: 118-48-9
isatoic anhydride

: 503039-57-4
4-((2-aminobenzamido)methyl)benzoic acid

Conditions

Conditions	Yield
With triethylamine In water at 40℃; for 3h;	100%
With triethylamine In water	72%
With triethylamine In water	72%
With dmap; triethylamine In pyridine; N,N-dimethyl-formamide at 80℃; for 16h;	70.7%
In water at 20℃; for 2h; Green chemistry;

: 56-91-7
p-aminomethylbenzoic acid

: 64-17-5
ethanol

: 6232-12-8
p-(Aminometyl)benzoic acid ethyl ester hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In water Reflux;	100%
With thionyl chloride at 0℃; for 3h; Heating / reflux;

: 56-91-7
p-aminomethylbenzoic acid

: 103-72-0
phenyl isothiocyanate

: 356773-26-7
4-[(3-phenyl-tioureido)methyl]benzoic acid

Conditions

Conditions	Yield
In ethanol for 24h; Reflux;	100%
In ethanol Reflux;

: 56-91-7
p-aminomethylbenzoic acid

: 819869-77-7
tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

: C36H59N5O9

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h;	100%

: 56-91-7
p-aminomethylbenzoic acid

: 82911-69-1
N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

: 164470-64-8
N-(9-fluorenylmethyloxycarbonyl)-4-(aminomethyl)benzoic acid

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane at 40℃; for 12h;	99%
With sodium hydrogencarbonate In tetrahydrofuran at 20℃; for 3.8h;	93.5%
With sodium hydrogencarbonate In 1,4-dioxane; water at 20℃; for 2h; Acylation;	77.7%

: 56-91-7
p-aminomethylbenzoic acid

: 2905-24-0
3-Bromobenzenesulfonyl chloride

: 4-{[(3-bromophenyl)sulfonamido]methyl}benzoic acid

Conditions

Conditions	Yield
With Sodium borate In water at 20℃; for 16.0833h; Sonication;	99%

: 56-91-7
p-aminomethylbenzoic acid

: 6232-11-7
methyl 4-(aminomethyl)benzoate hydrochloride

Conditions

Conditions	Yield
With methanol; thionyl chloride Reflux;	98.3%
With thionyl chloride In methanol at 20℃; for 16h;	97%
With hydrogenchloride In methanol

: 56-91-7
p-aminomethylbenzoic acid

: 24424-99-5
di-tert-butyl dicarbonate

: 33233-67-9
4-(tert-Butoxycarbonylaminomethyl)benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane at 0 - 20℃; for 24h;	98%
Stage #1: p-aminomethylbenzoic acid; di-tert-butyl dicarbonate With sodium hydrogencarbonate In tetrahydrofuran; water for 16h; pH=~ 6; Stage #2: With hydrogenchloride; water In tetrahydrofuran pH=~ 3;	97%
Stage #1: p-aminomethylbenzoic acid; di-tert-butyl dicarbonate With sodium hydrogencarbonate In tetrahydrofuran; water at 20℃; for 16h; pH=6; Stage #2: With hydrogenchloride; water In water pH=3;	97%

: 100-55-0
3-hydroxymethylpyridin

: 56-91-7
p-aminomethylbenzoic acid

: 241809-79-0
4-benzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; sodium chloride; 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide	98%
Stage #1: 3-hydroxymethylpyridin With 1,1'-carbonyldiimidazole In tetrahydrofuran at 10 - 20℃; for 1h; Stage #2: p-aminomethylbenzoic acid With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine In tetrahydrofuran at 20℃; for 5h; Stage #3: With hydrogenchloride; water pH=5;	91%

: 56-91-7
p-aminomethylbenzoic acid

: 91170-93-3
4-fluoro-3-chlorobenzenesulfonyl chloride

: 690646-06-1
4-{[(3-chloro-4-fluorophenyl)sulfonamido]methyl}benzoic acid

Conditions

Conditions	Yield
With borax In water at 20℃; for 4h; Sonication;	98%
With Sodium borate In water at 20℃; for 4.08333h; Sonication;	98%

: 56-91-7
p-aminomethylbenzoic acid

: 39895-56-2
4-hydroxymethyl-benzylamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; Reflux;	97%
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 12h; Reflux;	97%
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; Inert atmosphere; Reflux;	65%

: 56-91-7
p-aminomethylbenzoic acid

: 501-53-1
benzyl chloroformate

: 58933-52-1
4-((benzyloxycarbonylamino)methyl)benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 0 - 20℃; for 16h;	97%
In water at 20℃; for 16h;	95%
In water at 0 - 20℃;	95%

: 56-91-7
p-aminomethylbenzoic acid

: 407-25-0
trifluoroacetic anhydride

: 130029-61-7
4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid

Conditions

Conditions	Yield
at 0 - 20℃; for 2h;	97%
for 2h;	93%
at 25℃; for 2h;	88%

: 56-91-7
p-aminomethylbenzoic acid

: 1207-69-8
9-Chloroacridine

: 1211776-25-8
4-((acridin-9-amino)methyl)benzoic acid

Conditions

Conditions	Yield
In 2-ethoxy-ethanol at 90 - 100℃;	97%

: 56-91-7
p-aminomethylbenzoic acid

: 103-71-9
phenyl isocyanate

: 4-<<<(phenylamino)carbonyl>amino>methyl>benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide at 23℃; for 1h;	96%

: 56-91-7
p-aminomethylbenzoic acid

: 88-99-3
benzene-1,2-dicarboxylic acid

: 227598-41-6
4-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzoic acid

Conditions

Conditions	Yield
In acetonitrile at 180℃; for 0.5h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; Microwave irradiation;	96%

: 56-91-7
p-aminomethylbenzoic acid

: 1233032-09-1
3-((3,5-bis(trifluoromethyl)phenyl)amino)-4-ethoxycyclobut-3-ene-1,2-dione

: 3,5-bis[trifluoromethyl]phenyl squaramide-4-aminomethyl benzoic acid

Conditions

Conditions	Yield
With sodium carbonate In ethanol at 135℃; for 0.583333h; Microwave irradiation; Sealed tube;	96%

: 77-79-2
3-Sulfolene

: 56-91-7
p-aminomethylbenzoic acid

: 4-(N-(3-tetrahydrothiophenyl-1,1-dioxide)aminomethyl)benzoic acid

Conditions

Conditions	Yield
With potassium hydroxide In water at 55℃; for 23h;	95%

: 67-56-1
methanol

: 56-91-7
p-aminomethylbenzoic acid

: 18469-52-8
methyl 4-(aminomethyl)benzoate

Conditions

Conditions	Yield
With hydrogenchloride In water at 85℃; for 16h; Fischer–Speier Esterification;	95%
With thionyl chloride for 6h; Heating / reflux;	92%
With sulfuric acid for 6h; Reflux;	92%

: 56-91-7
p-aminomethylbenzoic acid

: 152120-54-2, 862686-58-6, 1143572-00-2
N,N'-bis( tert-butoxycarbonyl)-1H-pyrazole-1-carboxamidine

: 246224-53-3
N,N'-bis-tert-butoxycarbonyl-4-guanidinomethyl-benzoic acid

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran Heating;	95%

: 110-91-8
morpholine

: 56-91-7
p-aminomethylbenzoic acid

: 319-03-9
4-fluorophthalic anhydride

: 1613391-57-3
4-{[5-(morpholin-4-yl)-1,3-dioxoisoindol-2-yl]methyl}benzoic acid

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 200℃; for 1.25h; Inert atmosphere; Microwave irradiation;	95%

...Expand

: 56-91-7
p-aminomethylbenzoic acid

: 1544-68-9
4-fluorophenyl isothiocyanate

: 4-{[3-(4-fluorophenyl)thioureido]methyl}benzoic acid

Conditions

Conditions	Yield
In ethanol for 24h; Reflux;	95%

4-(Aminomethyl)benzoic acid Specification

This chemical is called Benzoic acid, 4-(aminomethyl)-, and its systematic name is 4-(aminomethyl)benzoic acid. With the molecular formula of C₈H₉NO₂, its product categories are Pharmaceutical Raw Materials; Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. The CAS registry number of this chemical is 56-91-7. Additionally, it's soluble in boiling water, slightly soluble in water, almost insoluble in ethanol, benzene, chloroform. It tastes bitter.

Other characteristics of the Benzoic acid, 4-(aminomethyl)- can be summarised as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 41.63 cm³; (15)Molar Volume: 121.9 cm³; (16)Polarizability: 16.5×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.239 g/cm³; (19)Flash Point: 149.2 °C; (20)Enthalpy of Vaporization: 59.64 kJ/mol; (21)Boiling Point: 323.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00011 mmHg at 25°C.

Uses of this chemical: The Benzoic acid, 4-(aminomethyl)- could react with 2-methyl-isothiourea; sulfate, and obtain the 4-guanidinomethylbenzoic acid. This reaction needs the reagent of aq. NaOH. The yield is 77.7 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccc(cc1)CN
2.InChI: InChI=1/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
3.InChIKey: QCTBMLYLENLHLA-UHFFFAOYAN

Product Name

4-(Aminomethyl)benzoic acid

Synthetic route

4-(Aminomethyl)benzoic acid Specification

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