U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N
Molecular Weight 167.2066
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Naphthylacetonitrile

SMILES

N#CCC1=CC2=CC=CC=C2C=C1

InChI

InChIKey=LPCWDVLDJVZIHA-UHFFFAOYSA-N
InChI=1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2

HIDE SMILES / InChI

Molecular Formula C12H9N
Molecular Weight 167.2066
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 17:46:32 GMT 2025
Edited
by admin
on Tue Apr 01 17:46:32 GMT 2025
Record UNII
FK3B32KF2J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-407556
Preferred Name English
2-Naphthylacetonitrile
Systematic Name English
2-Naphthaleneacetonitrile
Systematic Name English
2-(Cyanomethyl)naphthalene
Systematic Name English
(?-Naphthyl)acetonitrile
Systematic Name English
2-(Naphthalen-2-yl)acetonitrile
Systematic Name English
2-Naphthalen-2-ylacetonitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
82008
Created by admin on Tue Apr 01 17:46:32 GMT 2025 , Edited by admin on Tue Apr 01 17:46:32 GMT 2025
PRIMARY
NSC
407556
Created by admin on Tue Apr 01 17:46:32 GMT 2025 , Edited by admin on Tue Apr 01 17:46:32 GMT 2025
PRIMARY
FDA UNII
FK3B32KF2J
Created by admin on Tue Apr 01 17:46:32 GMT 2025 , Edited by admin on Tue Apr 01 17:46:32 GMT 2025
PRIMARY
ECHA (EC/EINECS)
231-352-5
Created by admin on Tue Apr 01 17:46:32 GMT 2025 , Edited by admin on Tue Apr 01 17:46:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID90225942
Created by admin on Tue Apr 01 17:46:32 GMT 2025 , Edited by admin on Tue Apr 01 17:46:32 GMT 2025
PRIMARY
CAS
7498-57-9
Created by admin on Tue Apr 01 17:46:32 GMT 2025 , Edited by admin on Tue Apr 01 17:46:32 GMT 2025
PRIMARY