Cyclohexylamine benzoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6O2.C6H13N
Molecular Weight	221.2955
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Cyclohexylamine benzoate

Structure Search

SMILES

NC1CCCCC1.OC(=O)C2=CC=CC=C2

InChI

InChIKey=CIFYUXXXOJJPOL-UHFFFAOYSA-N

InChI=1S/C7H6O2.C6H13N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);6H,1-5,7H2

HIDE SMILES / InChI

Molecular Formula	C7H6O2
Molecular Weight	122.1213
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H13N
Molecular Weight	99.1741
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:18:31 UTC 2023` Edited by `admin` on `Fri Dec 15 18:18:31 UTC 2023`
Record UNII	JUB9DT2JK8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Cyclohexylamine benzoate

Systematic Name

English

Cyclohexylammonium benzoate

Systematic Name

English

NSC-211025

Code

English

Benzoic acid, compd. with cyclohexanamine (1:1)

Systematic Name

English

Benzoic acid, compd. with cyclohexylamine (1:1)

Systematic Name

English

N-Cyclohexylammonium benzoate

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID4062856

Created by admin on Fri Dec 15 18:18:31 UTC 2023 , Edited by admin on Fri Dec 15 18:18:31 UTC 2023

PRIMARY

PUBCHEM

197016

Created by admin on Fri Dec 15 18:18:31 UTC 2023 , Edited by admin on Fri Dec 15 18:18:31 UTC 2023

PRIMARY

CAS

3129-92-8

Created by admin on Fri Dec 15 18:18:31 UTC 2023 , Edited by admin on Fri Dec 15 18:18:31 UTC 2023

PRIMARY

NSC

211025

Created by admin on Fri Dec 15 18:18:31 UTC 2023 , Edited by admin on Fri Dec 15 18:18:31 UTC 2023

PRIMARY

FDA UNII

JUB9DT2JK8

Created by admin on Fri Dec 15 18:18:31 UTC 2023 , Edited by admin on Fri Dec 15 18:18:31 UTC 2023

PRIMARY

ECHA (EC/EINECS)

221-516-4

Created by admin on Fri Dec 15 18:18:31 UTC 2023 , Edited by admin on Fri Dec 15 18:18:31 UTC 2023

PRIMARY