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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 Pentamethylbenzonitrile

SMILES

CC1=C(C)C(C)=C(C#N)C(C)=C1C

InChI

InChIKey=NCDPYDGGUAKABA-UHFFFAOYSA-N
InChI=1S/C12H15N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h1-5H3

HIDE SMILES / InChI

Molecular Formula C12H15N
Molecular Weight 173.2542
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 Tue Apr 01 19:07:16 GMT 2025
Edited
by admin
on Tue Apr 01 19:07:16 GMT 2025
Record UNII
HTM6336NVW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,4,5,6-Pentamethylbenzonitrile
Preferred Name English
Pentamethylbenzonitrile
Systematic Name English
Benzonitrile, 2,3,4,5,6-pentamethyl-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10199414
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-912-8
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
PRIMARY
CAS
5144-10-5
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
PRIMARY
PUBCHEM
78824
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
PRIMARY
FDA UNII
HTM6336NVW
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
PRIMARY