Product Name

  • Name

    3-(Dibutylamino)phenol

  • EINECS
  • CAS No. 43141-69-1
  • Article Data15
  • CAS DataBase
  • Density 0.984 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H23NO
  • Boiling Point 348.736 °C at 760 mmHg
  • Molecular Weight 221.343
  • Flash Point 157.112 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 43141-69-1 (3-(Dibutylamino)phenol)
  • Hazard Symbols
  • Synonyms N,N-Dibutyl-3-aminophenol;m-(Dibutylamino)phenol;3-(N,N-Dibutylamino)phenol;3-Hydroxy-N,N-dibutylaniline;N,N-Di-n-butyl-m-aminophenol;N,N-Dibutyl-m-aminophenol;
  • PSA 23.47000
  • LogP 3.79880

Synthetic route

N,N-dibutyl-3-aminoaniline
208340-01-6

N,N-dibutyl-3-aminoaniline

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With sulfuric acid; sodium nitrite In water at 3 - 70℃; for 8h;95.6%
Stage #1: m-amino-N,N-dibutylaniline With sulfuric acid In water at 0℃; Green chemistry;
Stage #2: With sodium nitrite In water at 0 - 10℃; for 8h; Green chemistry;
Stage #3: With sulfuric acid In water at 58℃; for 0.0666667h; Green chemistry;		95.2%
With sulfuric acid; sodium nitrite In water at -5 - 60℃; for 18h; Temperature;95.4%
1-bromo-butane
109-65-9

1-bromo-butane

m-Hydroxyaniline
591-27-5

m-Hydroxyaniline

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With sodium carbonate In water; isopropyl alcohol Reflux;83%
3-monochlorophenol
108-43-0

3-monochlorophenol

dibutylamine
111-92-2

dibutylamine

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Stage #1: 3-monochlorophenol; dibutylamine With lithium hexamethyldisilazane; CyJohnPhos; tris(dibenzylideneacetone)dipalladium (0) In tetrahydrofuran at 65℃; for 24h;
Stage #2: With hydrogenchloride In tetrahydrofuran at 20℃; for 0.0833333h; Further stages.;		72%
C14H22NO(1-)*Na(1+)

C14H22NO(1-)*Na(1+)

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With nitric acid for 1.5h; Reagent/catalyst;69.3%
meta-dinitrobenzene
99-65-0

meta-dinitrobenzene

pentanal
110-62-3

pentanal

benzyl alcohol
100-51-6

benzyl alcohol

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Stage #1: meta-dinitrobenzene; benzyl alcohol With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 24h;
Stage #2: pentanal With 5%-palladium/activated carbon; hydrogen; acetic acid In ethanol at 50 - 60℃; under 11251.1 - 15001.5 Torr; for 12h; pH=5 - 6; Reagent/catalyst; Temperature;		43%
...Expand
N-(3-methoxyphenyl)-di-n-butylamine
34874-62-9

N-(3-methoxyphenyl)-di-n-butylamine

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With boron tribromide In dichloromethane at 20℃; for 10h; Cooling with ice;36.1%
phosphoric acid tributyl ester
126-73-8

phosphoric acid tributyl ester

m-Hydroxyaniline
591-27-5

m-Hydroxyaniline

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With sodium hydroxide 1) 210 deg C, 2.5h, 2) 80 deg C; Yield given. Multistep reaction;
1-bromo-butane
109-65-9

1-bromo-butane

3-(N-n-butylamino)phenol
58494-81-8

3-(N-n-butylamino)phenol

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With sodium hydroxide; sodium carbonate In water
3-methoxyphenyl bromide
2398-37-0

3-methoxyphenyl bromide

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium t-butanolate; palladium diacetate; tri tert-butylphosphoniumtetrafluoroborate / toluene / 5 h / Reflux; Inert atmosphere
2: boron tribromide / dichloromethane / 10 h / 20 °C / Cooling with ice
View Scheme
dibutylamine
111-92-2

dibutylamine

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium t-butanolate; palladium diacetate; tri tert-butylphosphoniumtetrafluoroborate / toluene / 5 h / Reflux; Inert atmosphere
2: boron tribromide / dichloromethane / 10 h / 20 °C / Cooling with ice
View Scheme
C14H22NO3S(1-)*Na(1+)

C14H22NO3S(1-)*Na(1+)

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / water / 2 h / 280 °C
2: nitric acid / 1.5 h
View Scheme
3-amino-benzenesulfonic acid, monosodium salt
1126-34-7

3-amino-benzenesulfonic acid, monosodium salt

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ammonium hydroxide / water / 2 h / 200 °C
2: sodium hydroxide / water / 2 h / 280 °C
3: nitric acid / 1.5 h
View Scheme
Multi-step reaction with 3 steps
1: potassium hydroxide / water / 3 h / 140 °C / pH 8 - 9 / High pressure
2: sodium hydroxide / water / 2 h / 280 °C
3: nitric acid / 1.5 h
View Scheme
Multi-step reaction with 3 steps
1: potassium hydroxide / water / 5 h / 80 °C
2: sodium hydroxide / water / 2 h / 280 °C
3: nitric acid / 1.5 h
View Scheme
Multi-step reaction with 3 steps
1: magnesium oxide / water / 3 h / 100 °C
2: sodium hydroxide / water / 2 h / 280 °C
3: nitric acid / 1.5 h
View Scheme
m-dibutylaminocarbanilide

m-dibutylaminocarbanilide

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sulfuric acid / water / 6 h / 98 - 103 °C
2: sulfuric acid; sodium nitrite / water / 18 h / -5 - 60 °C
View Scheme
m-Hydroxyaniline
591-27-5

m-Hydroxyaniline

halobutane

halobutane

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

Conditions
ConditionsYield
With potassium carbonate In water; isopropyl alcohol at 70℃; for 3h;
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

4-cyano-1-methyl-3-methylthio-1H-pyrrole-2,5-dione
182359-86-0

4-cyano-1-methyl-3-methylthio-1H-pyrrole-2,5-dione

7-Dibutylamino-2-methyl-2H,4H-[1]benzopyrano[3,4-c]pyrrole-1,3,4-trione

7-Dibutylamino-2-methyl-2H,4H-[1]benzopyrano[3,4-c]pyrrole-1,3,4-trione

Conditions
ConditionsYield
In acetic acid Heating;97%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

squaric acid
2892-51-5

squaric acid

2,4-bis<4-(dibutylamino)-2-hydroxyphenyl>-squaraine
147598-48-9

2,4-bis<4-(dibutylamino)-2-hydroxyphenyl>-squaraine

Conditions
ConditionsYield
With Tributyl orthoformate In isopropyl alcohol for 4h; Heating;85%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

[1,4]naphthoquinone
130-15-4

[1,4]naphthoquinone

2-[2-hydroxy-4-(dibutylamino)phenyl]-1,4-naphthoquinone
131356-67-7

2-[2-hydroxy-4-(dibutylamino)phenyl]-1,4-naphthoquinone

Conditions
ConditionsYield
With copper diacetate In acetic acid at 50℃; for 7.5h;79%
With copper (I) acetate In acetic acid at 60℃; for 4h;63.4%
With copper diacetate; acetic acid at 50℃; Yield given;
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

2-methanesulfonyloxybenzaldehyde
49670-40-8

2-methanesulfonyloxybenzaldehyde

C36H50N2O4S

C36H50N2O4S

Conditions
ConditionsYield
With toluene-4-sulfonic acid; acetic acid at 70℃; for 4.5h; Inert atmosphere;68%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

sodium 1,2-naphthoquinone-4-sulfonate
521-24-4

sodium 1,2-naphthoquinone-4-sulfonate

4-[(4-dibutylamino-2-hydroxy)phenyl]-[1,2]naphthoquinone
744216-68-0

4-[(4-dibutylamino-2-hydroxy)phenyl]-[1,2]naphthoquinone

Conditions
ConditionsYield
With nickel dichloride In N,N-dimethyl-formamide at 50℃; for 4h; Inert atmosphere;65%
With nickel dichloride In DMF (N,N-dimethyl-formamide) at 50℃; for 3h;53.1%
Stage #1: 3-(N,N-dibutylamino)phenol; sodium 1,2-naphthoquinone-4-sulfonate With nickel dichloride In N,N-dimethyl-formamide at 50℃; for 3h;
Stage #2: With water In N,N-dimethyl-formamide		53.1%
3-chlorophthalic anhydride
117-21-5

3-chlorophthalic anhydride

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

C36H46ClN2O3(1+)*Cl(1-)

C36H46ClN2O3(1+)*Cl(1-)

Conditions
ConditionsYield
Stage #1: 3-chlorophthalic anhydride; 3-(N,N-dibutylamino)phenol With methanesulfonic acid In toluene at 110℃; for 54h; Inert atmosphere;
Stage #2: With hydrogenchloride In methanol; water Inert atmosphere;		65%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

trimellitic Anhydride
552-30-7

trimellitic Anhydride

C37H47N2O5(1+)*Cl(1-)

C37H47N2O5(1+)*Cl(1-)

Conditions
ConditionsYield
Stage #1: 3-(N,N-dibutylamino)phenol; trimellitic Anhydride With methanesulfonic acid In toluene at 110℃; for 64h; Inert atmosphere;
Stage #2: With hydrogenchloride In methanol; water Inert atmosphere;		62%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

C9H11NO4S

C9H11NO4S

C37H55N3O5S

C37H55N3O5S

Conditions
ConditionsYield
With toluene-4-sulfonic acid; acetic acid at 70℃; for 6h; Inert atmosphere;60.5%
3,4-Dichlorocyclobut-3-ene-1,2-dione
2892-63-9

3,4-Dichlorocyclobut-3-ene-1,2-dione

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

3-chloro-4-(4-(dibutylamino)-2-hydroxyphenyl)cyclobut-3-ene-1,2-dione

3-chloro-4-(4-(dibutylamino)-2-hydroxyphenyl)cyclobut-3-ene-1,2-dione

Conditions
ConditionsYield
With aluminum (III) chloride In dichloromethane at 50℃; for 2.5h;59.7%
With aluminum (III) chloride In dichloromethane at 50℃; for 2.5h;44.4%
1-(3-methoxy-4-nitrosophenyl)piperidine
1032716-21-4

1-(3-methoxy-4-nitrosophenyl)piperidine

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

3-(di-n-butylamino)-7-(piperidin-1-yl)phenoxazin-5-ium chloride
1032716-40-7

3-(di-n-butylamino)-7-(piperidin-1-yl)phenoxazin-5-ium chloride

Conditions
ConditionsYield
With hydrogenchloride In water; isopropyl alcohol for 3 - 4h; Reflux;50%
With hydrogenchloride In water; isopropyl alcohol Reflux;
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

methyl iodide
74-88-4

methyl iodide

N-(3-methoxyphenyl)-di-n-butylamine
34874-62-9

N-(3-methoxyphenyl)-di-n-butylamine

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 60℃; for 6h;48.7%
4-chloromethyl-5-iodothiophene-2-carbaldehyde
1415116-87-8

4-chloromethyl-5-iodothiophene-2-carbaldehyde

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

4-((3-(dibutylamino)phenoxy)methyl)-5-iodothiophene-2-carbaldehyde

4-((3-(dibutylamino)phenoxy)methyl)-5-iodothiophene-2-carbaldehyde

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide for 60h; Inert atmosphere;47%
4-trifluoromethylphenylamine
455-14-1

4-trifluoromethylphenylamine

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

C21H26F3N3O

C21H26F3N3O

Conditions
ConditionsYield
Stage #1: 4-trifluoromethylphenylamine With hydrogenchloride; sodium nitrite In water at 20℃; for 2h; Cooling with ice;
Stage #2: 3-(N,N-dibutylamino)phenol With aminosulfonic acid; sodium hydroxide In water at 25℃; for 3h; Cooling with ice;		43%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

sodium 1,2-naphthoquinone-4-sulfonate
521-24-4

sodium 1,2-naphthoquinone-4-sulfonate

A

4-[(4-dibutylamino-2-hydroxy)phenyl]-[1,2]naphthoquinone
744216-68-0

4-[(4-dibutylamino-2-hydroxy)phenyl]-[1,2]naphthoquinone

B

9-dibutylamino-benzo[b]naphtho[1,2-d]furan-5,6-dione
744216-48-6

9-dibutylamino-benzo[b]naphtho[1,2-d]furan-5,6-dione

Conditions
ConditionsYield
With copper dichloride In acetic acid at 50℃; for 7h;A 1.2%
B 42%
With nickel dichloride In N,N-dimethyl-formamide at 50℃; for 5h;A 37%
B 1.1%
...Expand
phthalic anhydride
85-44-9

phthalic anhydride

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

2-(4'-di-n-butylamino-2'-hydroxybenzoyl)benzoic acid
54574-82-2

2-(4'-di-n-butylamino-2'-hydroxybenzoyl)benzoic acid

Conditions
ConditionsYield
In toluene at 100℃; for 30h;41%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

sodium 1,2-naphthoquinone-4-sulfonate
521-24-4

sodium 1,2-naphthoquinone-4-sulfonate

9-dibutylamino-benzo[b]naphtho[1,2-d]furan-5,6-dione
744216-48-6

9-dibutylamino-benzo[b]naphtho[1,2-d]furan-5,6-dione

Conditions
ConditionsYield
With acetic acid; copper dichloride In water Product distribution / selectivity;40.9%
With copper dichloride In water; acetic acid40.9%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

squaric acid
2892-51-5

squaric acid

bis(4-di-n-butylamino-2-hydroxyphenyl)squaraine
87286-91-7

bis(4-di-n-butylamino-2-hydroxyphenyl)squaraine

Conditions
ConditionsYield
In toluene; butan-1-ol for 2h; Heating;40%
In toluene; butan-1-ol
In toluene; butan-1-ol at 125℃; for 5h;
In toluene; butan-1-ol at 125℃; for 5h; Dean-Stark;
1,1-dibenzyl-1,2-dihydronaphthalen-2-one
74849-12-0

1,1-dibenzyl-1,2-dihydronaphthalen-2-one

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

5,5-dibenzyl-9-dibutylamino-5H-benzo[b]naphtho[2,1-d]furan-6-one

5,5-dibenzyl-9-dibutylamino-5H-benzo[b]naphtho[2,1-d]furan-6-one

Conditions
ConditionsYield
With iron(III) chloride In dimethyl sulfoxide at 110℃;36%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

1,2-dihydrocarbazole-1,2-dione
105946-78-9

1,2-dihydrocarbazole-1,2-dione

4-[4-(dibutylamino)-2-hydroxyphenyl]-9H-carbazole-1,2-dione
916602-03-4

4-[4-(dibutylamino)-2-hydroxyphenyl]-9H-carbazole-1,2-dione

Conditions
ConditionsYield
With copper dichloride In dimethyl sulfoxide at 50℃; for 1.5h;32%
C18H24O

C18H24O

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

5,5-dibutyl-9-dibutylamino-5H-benzo[b]naphtho[2,1-d]furan-6-one

5,5-dibutyl-9-dibutylamino-5H-benzo[b]naphtho[2,1-d]furan-6-one

Conditions
ConditionsYield
With iron(III) chloride In dimethyl sulfoxide at 110℃;30%
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

N,N-diethyl-4-nitrosoaniline
120-22-9

N,N-diethyl-4-nitrosoaniline

3-dibutylamino-7-diethylaminophenoxazinium perchlorate

3-dibutylamino-7-diethylaminophenoxazinium perchlorate

Conditions
ConditionsYield
With perchloric acid; air In ethanol Heating;21%
With perchloric acid In ethanol; water for 3h; Heating / reflux;2%
C26H40O

C26H40O

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

5,5-dioctyl-9-dibutylamino-5H-benzo[b]naphtho[2,1-d]furan-6-one

5,5-dioctyl-9-dibutylamino-5H-benzo[b]naphtho[2,1-d]furan-6-one

Conditions
ConditionsYield
With iron(III) chloride In dimethyl sulfoxide at 110℃;21%
N-Dibutylaniline
613-29-6

N-Dibutylaniline

3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

squaric acid
2892-51-5

squaric acid

A

2,4-bis<4-(dibutylamino)phenyl>cyclobutenebis(ylium)-1,3-diolate
121289-35-8

2,4-bis<4-(dibutylamino)phenyl>cyclobutenebis(ylium)-1,3-diolate

B

2-(4-Dibutylamino-2-hydroxy-phenyl)-4-(4-dibutylamino-phenyl)-cyclobutane-1,3-dione

2-(4-Dibutylamino-2-hydroxy-phenyl)-4-(4-dibutylamino-phenyl)-cyclobutane-1,3-dione

C

2,4-Bis-(4-dibutylamino-2-hydroxy-phenyl)-cyclobutane-1,3-dione

2,4-Bis-(4-dibutylamino-2-hydroxy-phenyl)-cyclobutane-1,3-dione

Conditions
ConditionsYield
With Tributyl orthoformate In isopropyl alcohol for 6h; Heating;A 16%
B 19%
C 12%
...Expand
3-(N,N-dibutylamino)phenol
43141-69-1

3-(N,N-dibutylamino)phenol

p-dimethylaminonitrosobenzene
138-89-6

p-dimethylaminonitrosobenzene

C22H30N3O(1+)*ClO4(1-)

C22H30N3O(1+)*ClO4(1-)

Conditions
ConditionsYield
With perchloric acid; air In ethanol Heating;5%

3-(Dibutylamino)phenol Specification

The IUPAC name of 3-(Dibutylamino)phenol is 3-(dibutylamino)phenol. With the CAS registry number 43141-69-1, it is also named as N,N-Di-n-butyl-3-aminophenol. The product's category is Phenoles and Thiophenoles. Besides, it should be sealed in a cool and dry place. In addition, its molecular formula is C14H23NO and molecular weight is 221.34.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 718.35; (6)ACD/BCF (pH 7.4): 2316.21; (7)ACD/KOC (pH 5.5): 2739.97; (8)ACD/KOC (pH 7.4): 8834.65; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 70.24 cm3; (15)Molar Volume: 224.8 cm3; (16)Polarizability: 27.84×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 0.984 g/cm3; (19)Flash Point: 157.1 °C; (20)Enthalpy of Vaporization: 61.66 kJ/mol; (21)Boiling Point: 348.7 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-05 mmHg at 25 °C.

Preparation of 3-(Dibutylamino)phenol: this chemical can be prepared by the reaction of dibutylamine with 3-chloro-phenol.



This reaction needs LiN(TMS)2, 2-Cy2P-1,1'-biphenyl,1 M HCl, Pd2(dba)3 and tetrahydrofuran at temperature of 65 °C. The reaction time is 5 min. The yield is 71 %.

Uses of 3-(Dibutylamino)phenol: it can react with dihydroxy-cyclobutenedione to get bis(4-dibutylamino-2-hydroxyphenyl)squaraine.



This reaction needs toluene and butan-1-ol by heating for 2 hours. The yield is 40 %.

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

People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1cccc(N(CCCC)CCCC)c1
(2)InChI: InChI=1/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3
(3)InChIKey: KHSTZMGCKHBFJX-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H23NO/c1-3-5-10-15(11-6-4-2)13-8-7-9-14(16)12-13/h7-9,12,16H,3-6,10-11H2,1-2H3
(5)Std. InChIKey: KHSTZMGCKHBFJX-UHFFFAOYSA-N

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