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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2.C4H9NO
Molecular Weight 265.348
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

C1COCCN1.CC(C)(C)C2=CC=C(C=C2)C(O)=O

InChI

InChIKey=FQWQFGBMJNQREU-UHFFFAOYSA-N
InChI=1S/C11H14O2.C4H9NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-3-6-4-2-5-1/h4-7H,1-3H3,(H,12,13);5H,1-4H2

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H9NO
Molecular Weight 87.1204
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 Wed Apr 02 18:45:19 GMT 2025
Edited
by admin
on Wed Apr 02 18:45:19 GMT 2025
Record UNII
JM8XVD3XTB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-tert-Butylbenzoic acid, Morpholine
Systematic Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with morpholine
Preferred Name English
p-tert-Butylbenzoic acid, compound with morpholine (1:1)
Common Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with morpholine (1:1)
Systematic Name English
Morpholine, 4-(1,1-dimethylethyl)benzoate
Systematic Name English
Code System Code Type Description
CAS
94135-64-5
Created by admin on Wed Apr 02 18:45:19 GMT 2025 , Edited by admin on Wed Apr 02 18:45:19 GMT 2025
PRIMARY
PUBCHEM
44148040
Created by admin on Wed Apr 02 18:45:19 GMT 2025 , Edited by admin on Wed Apr 02 18:45:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID20240764
Created by admin on Wed Apr 02 18:45:19 GMT 2025 , Edited by admin on Wed Apr 02 18:45:19 GMT 2025
PRIMARY
FDA UNII
JM8XVD3XTB
Created by admin on Wed Apr 02 18:45:19 GMT 2025 , Edited by admin on Wed Apr 02 18:45:19 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE