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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15N
Molecular Weight 173.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-TERT-BUTYLPHENYL)ACETONITRILE

SMILES

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

InChI

InChIKey=QKJPXROEIJPNHG-UHFFFAOYSA-N
InChI=1S/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-85354
Preferred Name English
(4-TERT-BUTYLPHENYL)ACETONITRILE
Systematic Name English
ACETONITRILE, (P-TERT-BUTYLPHENYL)-
Common Name English
4-(1,1-DIMETHYLETHYL)BENZENEACETONITRILE
Systematic Name English
P-TERT-BUTYLBENZYL CYANIDE
Common Name English
(P-TERT-BUTYLPHENYL)ACETONITRILE
Systematic Name English
4-TERT-BUTYLBENZYL CYANIDE
Systematic Name English
BENZENEACETONITRILE, 4-(1,1-DIMETHYLETHYL)-
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 690112
Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025
Code System Code Type Description
ECHA (EC/EINECS)
221-944-1
Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025
PRIMARY
FDA UNII
JJV56A2CNJ
Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025
PRIMARY
CAS
3288-99-1
Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025
PRIMARY
PUBCHEM
76784
Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025
PRIMARY
NSC
85354
Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID8052011
Created by admin on Mon Mar 31 23:03:44 GMT 2025 , Edited by admin on Mon Mar 31 23:03:44 GMT 2025
PRIMARY