Agmatine sulfate supplier | CasNO.2482-00-0

Name
Agmatine sulfate
EINECS 219-617-3
CAS No. 2482-00-0
Article Data3
CAS DataBase
Density
Solubility 50 mg/mL in water
Melting Point 234-238 °C(lit.)
Formula C₅H₁₆N₄O₄S
Boiling Point 281.4 °C at 760 mmHg
Molecular Weight 228.272
Flash Point 124 °C
Transport Information
Appearance Powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-aminobutyl)guanidine; sulfuric acid;Prestwick_710;Guanidine, (4-aminobutyl)-, sulfate (1:1);(4-Aminobutyl)guanidinium sulphate;1-Amino-4-guanidinobutane sulfate salt;(4-Aminobutyl)guanidine sulphate;
PSA 170.90000
LogP 1.52760

Synthetic route

: 14527-26-5, 867-44-7
2-methylisothiourea sulphate

: 110-60-1
1,4-diaminobutane

: 2482-00-0
agmatine sulphate

: 110-60-1
1,4-diaminobutane

S-ethyl-isothiourea sulfate: S-ethyl-isothiourea sulfate

: 2482-00-0
agmatine sulphate

: 2482-00-0
agmatine sulphate

: 814-68-6
acryloyl chloride

: 181147-64-8
N-(4-guanidino-butyl)acrylamide

Conditions

Conditions	Yield
Stage #1: agmatine sulphate With potassium carbonate In water at 0 - 5℃; for 0.166667h; Stage #2: acryloyl chloride In water; acetone at 5℃; for 1h; Stage #3: With sulfuric acid; potassium carbonate Product distribution / selectivity; more than 3 stages;	95%
Stage #1: agmatine sulphate With sodium hydroxide In water at 0℃; pH=12; Stage #2: acryloyl chloride With sodium hydroxide In water; acetone at 0 - 20℃; for 2h; pH=11.8; Stage #3: With sulfuric acid In water; acetone pH=2.5; Product distribution / selectivity;	50%
Stage #1: agmatine sulphate With potassium carbonate In water at 5℃; for 0.166667h; Cooling with ice; Stage #2: acryloyl chloride In water; acetone at 5℃; for 1h;
With sodium hydrogencarbonate In water at 0℃; for 1.5h;	1 g
Stage #1: agmatine sulphate; acryloyl chloride With sodium hydrogencarbonate at 0℃; for 1h; Stage #2: With hydrogenchloride In water pH=1;	1 g

: 34071-95-9
N-succinimidyl-3-(p-hydroxyphenyl)propionate

: 2482-00-0
agmatine sulphate

: 3-(4-hydroxyphenyl)propionyl agmatine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In acetone for 19h; pH=8;	91%

: 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofurane-1,3(2H,9bH)-dione

: 2482-00-0
agmatine sulphate

: C23H28N4O6

Conditions

Conditions	Yield
With triethylamine In ethanol; water at 20℃; for 20h; Inert atmosphere; Reflux;	82%

: 2482-00-0
agmatine sulphate

: 672341-25-2
4-O-metyl-cis-p-coumaryl succinimide ester

: cis-p-methoxycinnamoylagmatine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In acetone for 72h; pH=8.0;	81%

: 26272-90-2
cetyl chloroformate

: 2482-00-0
agmatine sulphate

: hexadecyl N-(4-guanidinobutyl)carbamate hydrochloride

Conditions

Conditions	Yield
Stage #1: agmatine sulphate With sodium hydroxide In water; isopropyl alcohol at 10 - 20℃; pH=12 - 13; Stage #2: cetyl chloroformate With hydrogenchloride In ethyl acetate at 20℃; for 0.5h;	72%

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

: 2482-00-0
agmatine sulphate

: 4-(tert-Butoxycarbonylamino)butylguanidinium hydrogen carbonate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In 1,4-dioxane	68%
With sodium hydrogencarbonate In 1,4-dioxane at 20℃;	68%

: 2482-00-0
agmatine sulphate

: 88492-43-7
4-hydroxycinnamic acid N-hydroxysuccinimide ester

: 1-(trans-4'-hydroxycinnamoylamino)-4-guanidinobutane

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water; acetone for 24h; Ambient temperature; pH: 8;	65%

: 2482-00-0
agmatine sulphate

: 116115-11-8
(S)-2-Benzyloxycarbonylamino-5-tert-butoxycarbonylamino-pentanoic acid 2,5-dioxo-pyrrolidin-1-yl ester

: Z-Orn(Boc)-Agm*0.5H2SO4

Conditions

Conditions	Yield
With triethylamine In water; acetonitrile	51%

: 1943-84-6
hexadecyl isocyanate

: 2482-00-0
agmatine sulphate

: 1-(4-guanidinobutyl)-3-hexadecyl-urea hydrochloride

Conditions

Conditions	Yield
Stage #1: hexadecyl isocyanate; agmatine sulphate With sodium hydroxide In water; isopropyl alcohol at 30℃; pH=13; Stage #2: With hydrogenchloride In water; ethyl acetate at 20℃; for 2h;	38%

: 2482-00-0
agmatine sulphate

: 672341-24-1
cis-p-coumaroylsuccinimide

: cis-p-coumaroylagmatine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water; acetone Ambient temperature;	5.7%

: 22509-74-6
N-ethoxycarbonylphthalimide

: 2482-00-0
agmatine sulphate

: 4-phthalimidobutylguanidine sulfate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water for 1h; Ambient temperature;	225 mg

: 2482-00-0
agmatine sulphate

: 14049-14-0
γ-guanidino butyraldehyde

Conditions

Conditions	Yield
diamine oxidase and beef liver catalase In various solvent(s) at 36℃;

: 2482-00-0
agmatine sulphate

: 333-93-7
putrescine dihydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide 1) water, ethanol, reflux, cca. 20 h; 2) r.t.; Yield given. Multistep reaction;

: 2482-00-0
agmatine sulphate

: 88492-43-7
4-hydroxycinnamic acid N-hydroxysuccinimide ester

: 64-19-7
acetic acid

: trans-p-coumaroylagmatine acetate

Conditions

Conditions	Yield
With sodium hydrogencarbonate 1.) H2O, Me2CO, RT, 24 h; Yield given. Multistep reaction;

...Expand

: 2482-00-0
agmatine sulphate

: (3S)-3-methyldecanoic acid N-hydroxysuccinimide ester

: aplysillamide B

Conditions

Conditions	Yield
With sodium hydrogencarbonate In tetrahydrofuran; water for 44h; Ambient temperature; Yield given;

: 2482-00-0
agmatine sulphate

: 88492-43-7
4-hydroxycinnamic acid N-hydroxysuccinimide ester

: trans-p-coumaroylagmatine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water; acetone Ambient temperature;

: 1135-24-6
(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

: 2482-00-0
agmatine sulphate

: trans-feruloylagmatine

Conditions

Conditions	Yield
Stage #1: (E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid With thionyl chloride for 0.5h; Substitution; Heating; Stage #2: agmatine sulphate In N,N-dimethyl-formamide at 20℃; for 12h; Condensation;

: 2482-00-0
agmatine sulphate

: (2'E,4'E,6'S)-3-(4''-Guanidinobutyl)-1-(2',6',10'-trimethylundeca-2',4',9'-trienoyl)guanidine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 68 percent / aq. NaHCO3 / dioxane 2.1: TMSCl; iPr2NEt / CH2Cl2 2.2: 62 percent / iPr2NEt / CH2Cl2 3.1: 84 percent / p-TsOH; 2-methyl-2-butene / methanol 4.1: methanol 5.1: KOH; MeOH View Scheme
Multi-step reaction with 5 steps 1.1: 68 percent / aq. NaHCO3 / dioxane / 20 °C 2.1: DIPEA; TMSCl / CH2Cl2 / 1 h / 40 °C 2.2: 197 mg / DIPEA / CH2Cl2 / 4 h / 40 °C 3.1: 84 percent / p-TsOH / methanol; various solvent(s) / 20 °C 4.1: 75 percent / Et3N / methanol / 1 h / 20 °C 5.1: KOH / methanol / 4 h / 10 °C View Scheme

: 2482-00-0
agmatine sulphate

: (2'E,4'E,6'R)-3-(4''-Guanidinobutyl)-1-(2',6',10'-trimethylundeca-2',4',9'-trienoyl)guanidine

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 68 percent / aq. NaHCO3 / dioxane 2.1: TMSCl; iPr2NEt / CH2Cl2 2.2: iPr2NEt / CH2Cl2 3.1: p-TsOH; 2-methyl-2-butene / methanol 4.1: methanol 5.1: KOH; MeOH View Scheme
Multi-step reaction with 5 steps 1.1: 68 percent / aq. NaHCO3 / dioxane / 20 °C 2.1: DIPEA; TMSCl / CH2Cl2 / 1 h / 40 °C 2.2: 202 mg / DIPEA / CH2Cl2 / 4 h / 40 °C 3.1: 81 percent / p-TsOH / methanol; various solvent(s) / 20 °C 4.1: 83 percent / Et3N / methanol / 1 h / 20 °C 5.1: KOH / methanol / 4 h / 10 °C View Scheme

: 2482-00-0
agmatine sulphate

: 345238-71-3
N-(4-amino-butyl)-N',N''-bis-(2,6,10-trimethyl-undeca-2,4,9-trienoyl)-guanidine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 68 percent / aq. NaHCO3 / dioxane 2.1: TMSCl; iPr2NEt / CH2Cl2 2.2: iPr2NEt / CH2Cl2 3.1: p-TsOH; 2-methyl-2-butene / methanol View Scheme

: 2482-00-0
agmatine sulphate

: 345238-66-6
N-(4-amino-butyl)-N',N''-bis-(2,6,10-trimethyl-undeca-2,4,9-trienoyl)-guanidine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 68 percent / aq. NaHCO3 / dioxane 2.1: TMSCl; iPr2NEt / CH2Cl2 2.2: 62 percent / iPr2NEt / CH2Cl2 3.1: 84 percent / p-TsOH; 2-methyl-2-butene / methanol View Scheme

: 2482-00-0
agmatine sulphate

: 345238-70-2
{4-[N',N''-bis-(2,6,10-trimethyl-undeca-2,4,9-trienoyl)-guanidino]-butyl}-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 68 percent / aq. NaHCO3 / dioxane 2.1: TMSCl; iPr2NEt / CH2Cl2 2.2: iPr2NEt / CH2Cl2 View Scheme

: 2482-00-0
agmatine sulphate

: 345238-62-2
{4-[N',N''-bis-(2,6,10-trimethyl-undeca-2,4,9-trienoyl)-guanidino]-butyl}-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 68 percent / aq. NaHCO3 / dioxane 2.1: TMSCl; iPr2NEt / CH2Cl2 2.2: 62 percent / iPr2NEt / CH2Cl2 View Scheme

: 2482-00-0
agmatine sulphate

: N-{4-[N',N''-bis-(2,6,10-trimethyl-undeca-2,4,9-trienoyl)-guanidino]-butyl}-guanidine; compound with sulfurous acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: 68 percent / aq. NaHCO3 / dioxane 2.1: TMSCl; iPr2NEt / CH2Cl2 2.2: iPr2NEt / CH2Cl2 3.1: p-TsOH; 2-methyl-2-butene / methanol 4.1: methanol View Scheme

: 2482-00-0
agmatine sulphate

: N-{4-[N',N''-bis-(2,6,10-trimethyl-undeca-2,4,9-trienoyl)-guanidino]-butyl}-guanidine; compound with sulfurous acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: 68 percent / aq. NaHCO3 / dioxane 2.1: TMSCl; iPr2NEt / CH2Cl2 2.2: 62 percent / iPr2NEt / CH2Cl2 3.1: 84 percent / p-TsOH; 2-methyl-2-butene / methanol 4.1: methanol View Scheme

: 2482-00-0
agmatine sulphate

: 345238-71-3
(2'E,4'E,6'R)-3-(4''-Aminobutyl)-1,2-bis(2',6',10'-trimethylundeca-2',4',9'-trienoyl)guanidine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 68 percent / aq. NaHCO3 / dioxane / 20 °C 2.1: DIPEA; TMSCl / CH2Cl2 / 1 h / 40 °C 2.2: 202 mg / DIPEA / CH2Cl2 / 4 h / 40 °C 3.1: 81 percent / p-TsOH / methanol; various solvent(s) / 20 °C View Scheme

: 2482-00-0
agmatine sulphate

: 345238-66-6
(2'E,4'E,6'S)-3-(4''-Aminobutyl)-1,2-bis(2',6',10'-trimethylundeca-2',4',9'-trienoyl)guanidine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 68 percent / aq. NaHCO3 / dioxane / 20 °C 2.1: DIPEA; TMSCl / CH2Cl2 / 1 h / 40 °C 2.2: 197 mg / DIPEA / CH2Cl2 / 4 h / 40 °C 3.1: 84 percent / p-TsOH / methanol; various solvent(s) / 20 °C View Scheme

Agmatine sulfate Chemical Properties

The molecular structure of Agmatine sulfate (CAS NO.2482-00-0):

IUPAC Name: 2-(4-Aminobutyl)guanidine; sulfuric acid
Molecular Weight: 228.26994 g/mol
Molecular Formula: C₅H₁₆N₄O₄S
Melting Point: 234-238 °C(lit.)
Flash Point: 124 °C
Enthalpy of Vaporization: 52.02 kJ/mol
Boiling Point: 281.4 °C at 760 mmHg
Vapour Pressure: 0.00357 mmHg at 25 °C
Storage Temp.: −20 °C
Water Solubility: 50 mg/mL
H-Bond Donor: 5
H-Bond Acceptor: 8
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 228.089226
MonoIsotopic Mass: 228.089226
Topological Polar Surface Area: 165
Heavy Atom Count: 14
Canonical SMILES: C(CCN=C(N)N)CN.OS(=O)(=O)O
InChI: InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)
InChIKey: PTAYFGHRDOMJGC-UHFFFAOYSA-N
EINECS: 219-617-3
Product Categories: Active Pharmaceutical Ingredients;Imidazoline binding site

Agmatine sulfate Safety Profile

Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 10

Agmatine sulfate Specification

Agmatine sulfate (CAS NO.2482-00-0) is also named as AI3-51851 ; (4-Aminobutyl)guanidinium sulphate ; Guanidine, (4-aminobutyl)-, sulfate (1:1) ; 1-(4-Aminobutyl)guanidine sulfate ; 1-Amino-4-guanidinobutane sulfate salt ; 4-Guanidinobutylamine sulfate salt . Agmatine sulfate (CAS NO.2482-00-0) is white to off-white powder.

Product Name

Agmatine sulfate

Synthetic route

Agmatine sulfate Chemical Properties

Agmatine sulfate Safety Profile

Agmatine sulfate Specification

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