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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

SMILES

CCCCOC(=O)C1=CC=C(O)C(CN(C)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 Tue Apr 01 19:51:17 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:17 GMT 2025
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
NSC-11380
Preferred Name English
4,3-CRESOTIC ACID, .ALPHA.-(DIMETHYLAMINO)-, BUTYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90211865
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
CAS
6279-54-5
Created by admin on Tue Apr 01 19:51:17 GMT 2025 , Edited by admin on Tue Apr 01 19:51:17 GMT 2025
PRIMARY
FDA UNII
EJ6Z67N2X1
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
NSC
11380
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY
PUBCHEM
22677
Created by admin on Tue Apr 01 19:51:18 GMT 2025 , Edited by admin on Tue Apr 01 19:51:18 GMT 2025
PRIMARY