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Details

Stereochemistry ACHIRAL
Molecular Formula C11H13NO
Molecular Weight 175.227
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-BENZALBUTYRAMIDE, (E)-

SMILES

C\C(CC(N)=O)=C/C1=CC=CC=C1

InChI

InChIKey=KAJZGRFYZKWYDX-VQHVLOKHSA-N
InChI=1S/C11H13NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)/b9-7+

HIDE SMILES / InChI

Molecular Formula C11H13NO
Molecular Weight 175.227
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:35:46 GMT 2025
Edited
by admin
on Mon Mar 31 19:35:46 GMT 2025
Record UNII
NCL11JK5LF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETA-BENZALBUTYRAMIDE, E-ISOMER
Preferred Name English
.BETA.-BENZALBUTYRAMIDE, (E)-
Systematic Name English
3-BUTENAMIDE, 3-METHYL-4-PHENYL-, (E)-
Systematic Name English
.BETA.-BENZALBUTYRAMIDE, E-
Systematic Name English
Code System Code Type Description
CAS
26121-47-1
Created by admin on Mon Mar 31 19:35:46 GMT 2025 , Edited by admin on Mon Mar 31 19:35:46 GMT 2025
PRIMARY
PUBCHEM
5371849
Created by admin on Mon Mar 31 19:35:46 GMT 2025 , Edited by admin on Mon Mar 31 19:35:46 GMT 2025
PRIMARY
FDA UNII
NCL11JK5LF
Created by admin on Mon Mar 31 19:35:46 GMT 2025 , Edited by admin on Mon Mar 31 19:35:46 GMT 2025
PRIMARY