3-((DIMETHYLAMINO)METHYL)-4-HYDROXY BUTYL ESTER BENZOIC ACID

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H21NO3
Molecular Weight	251.3214
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((DIMETHYLAMINO)METHYL)-4-HYDROXY BUTYL ESTER BENZOIC ACID

Structure Search

SMILES

CCCCOC(=O)C1=CC(CN(C)C)=C(O)C=C1

InChI

InChIKey=PYUBXKHAWDQIDA-UHFFFAOYSA-N

InChI=1S/C14H21NO3/c1-4-5-8-18-14(17)11-6-7-13(16)12(9-11)10-15(2)3/h6-7,9,16H,4-5,8,10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H21NO3
Molecular Weight	251.3214
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 `Sat Dec 16 12:50:55 GMT 2023` Edited by `admin` on `Sat Dec 16 12:50:55 GMT 2023`
Record UNII	EJ6Z67N2X1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-((DIMETHYLAMINO)METHYL)-4-HYDROXY BUTYL ESTER BENZOIC ACID

Common Name

English

4,3-CRESOTIC ACID, .ALPHA.-(DIMETHYLAMINO)-, BUTYL ESTER

Systematic Name

English

NSC-11380

Code

English

Code System Code Type Description

EPA CompTox

DTXSID90211865

Created by admin on Sat Dec 16 12:50:55 GMT 2023 , Edited by admin on Sat Dec 16 12:50:55 GMT 2023

PRIMARY

CAS

6279-54-5

Created by admin on Sat Dec 16 12:50:55 GMT 2023 , Edited by admin on Sat Dec 16 12:50:55 GMT 2023

PRIMARY

FDA UNII

EJ6Z67N2X1

Created by admin on Sat Dec 16 12:50:55 GMT 2023 , Edited by admin on Sat Dec 16 12:50:55 GMT 2023

PRIMARY

NSC

11380

Created by admin on Sat Dec 16 12:50:55 GMT 2023 , Edited by admin on Sat Dec 16 12:50:55 GMT 2023

PRIMARY

PUBCHEM

22677

Created by admin on Sat Dec 16 12:50:55 GMT 2023 , Edited by admin on Sat Dec 16 12:50:55 GMT 2023

PRIMARY