ISOPENTYL 4-AMINOBENZOATE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H17NO2
Molecular Weight	207.2689
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOPENTYL 4-AMINOBENZOATE

Structure Search

SMILES

CC(C)CCOC(=O)C1=CC=C(N)C=C1

InChI

InChIKey=DVPONJRILZFUGU-UHFFFAOYSA-N

InChI=1S/C12H17NO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8,13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H17NO2
Molecular Weight	207.2689
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 `Tue Apr 01 19:16:17 GMT 2025` Edited by `admin` on `Tue Apr 01 19:16:17 GMT 2025`
Record UNII	W2K7A643NZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-BUTANOL, 3-METHYL-, 1-(4-AMINOBENZOATE)

Preferred Name

English

ISOPENTYL 4-AMINOBENZOATE

Systematic Name

English

BENZOIC ACID, 4-AMINO-, 3-METHYLBUTYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

W2K7A643NZ

Created by admin on Tue Apr 01 19:16:17 GMT 2025 , Edited by admin on Tue Apr 01 19:16:17 GMT 2025

PRIMARY

ECHA (EC/EINECS)

253-789-0

Created by admin on Tue Apr 01 19:16:17 GMT 2025 , Edited by admin on Tue Apr 01 19:16:17 GMT 2025

PRIMARY

PUBCHEM

210327

Created by admin on Tue Apr 01 19:16:17 GMT 2025 , Edited by admin on Tue Apr 01 19:16:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID30191531

Created by admin on Tue Apr 01 19:16:17 GMT 2025 , Edited by admin on Tue Apr 01 19:16:17 GMT 2025

PRIMARY

CAS

38120-10-4

Created by admin on Tue Apr 01 19:16:17 GMT 2025 , Edited by admin on Tue Apr 01 19:16:17 GMT 2025

PRIMARY