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Details

Stereochemistry RACEMIC
Molecular Formula C14H19NO
Molecular Weight 217.3068
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl-?-(1-methylethoxy)benzenebutyronitrile

SMILES

CC(C)OC(CCC#N)C1=CC=C(C)C=C1

InChI

InChIKey=AFVNASUMPFJDPV-UHFFFAOYSA-N
InChI=1S/C14H19NO/c1-11(2)16-14(5-4-10-15)13-8-6-12(3)7-9-13/h6-9,11,14H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C14H19NO
Molecular Weight 217.3068
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:35:26 GMT 2025
Edited
by admin
on Wed Apr 02 19:35:26 GMT 2025
Record UNII
B9A9ZH5LAJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-methylphenyl)-4-propan-2-yloxybutanenitrile
Preferred Name English
4-Methyl-?-(1-methylethoxy)benzenebutyronitrile
Systematic Name English
Benzenebutanenitrile,4-methyl-?-(1-methylethoxy)-
Systematic Name English
Code System Code Type Description
CAS
6965-79-3
Created by admin on Wed Apr 02 19:35:26 GMT 2025 , Edited by admin on Wed Apr 02 19:35:26 GMT 2025
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EPA CompTox
DTXSID901243448
Created by admin on Wed Apr 02 19:35:26 GMT 2025 , Edited by admin on Wed Apr 02 19:35:26 GMT 2025
PRIMARY
PUBCHEM
97975
Created by admin on Wed Apr 02 19:35:26 GMT 2025 , Edited by admin on Wed Apr 02 19:35:26 GMT 2025
PRIMARY
FDA UNII
B9A9ZH5LAJ
Created by admin on Wed Apr 02 19:35:26 GMT 2025 , Edited by admin on Wed Apr 02 19:35:26 GMT 2025
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