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Details

Stereochemistry RACEMIC
Molecular Formula C11H14O2.C3H9NO
Molecular Weight 253.3373
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-tert-Butylbenzoic acid, isopropanolamine salt

SMILES

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

InChI

InChIKey=DTUPQRXSFPBPHI-UHFFFAOYSA-N
InChI=1S/C11H14O2.C3H9NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-3(5)2-4/h4-7H,1-3H3,(H,12,13);3,5H,2,4H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-tert-Butylbenzoic acid, isopropanolamine salt
Systematic Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 1-amino-2-propanol
Preferred Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 1-amino-2-propanol (1:1)
Systematic Name English
p-tert-Butylbenzoic acid, isopropanolamine salt
Systematic Name English
Code System Code Type Description
FDA UNII
8KQQ2QD6XG
Created by admin on Wed Apr 02 18:19:14 GMT 2025 , Edited by admin on Wed Apr 02 18:19:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID60886968
Created by admin on Wed Apr 02 18:19:14 GMT 2025 , Edited by admin on Wed Apr 02 18:19:14 GMT 2025
PRIMARY
CAS
67859-80-7
Created by admin on Wed Apr 02 18:19:14 GMT 2025 , Edited by admin on Wed Apr 02 18:19:14 GMT 2025
PRIMARY
PUBCHEM
106916
Created by admin on Wed Apr 02 18:19:14 GMT 2025 , Edited by admin on Wed Apr 02 18:19:14 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of 4-tert-Butylbenzoic acid
NIH
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