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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11N
Molecular Weight 145.201
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENEBUTANENITRILE

SMILES

N#CCCCC1=CC=CC=C1

InChI

InChIKey=ICMVGKQFVMTRLB-UHFFFAOYSA-N
InChI=1S/C10H11N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8H2

HIDE SMILES / InChI

Molecular Formula C10H11N
Molecular Weight 145.201
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 Sat Dec 16 13:09:16 GMT 2023
Edited
by admin
on Sat Dec 16 13:09:16 GMT 2023
Record UNII
PNG4BJG1Z6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEBUTANENITRILE
Systematic Name English
4-PHENYLBUTYRONITRILE
Systematic Name English
1-CYANO-3-PHENYLPROPANE
Systematic Name English
.GAMMA.-PHENYLPROPYL CYANIDE
Systematic Name English
NSC-1853
Code English
4-PHENYLBUTANENITRILE
Systematic Name English
(3-CYANOPROPYL)BENZENE
Systematic Name English
Code System Code Type Description
FDA UNII
PNG4BJG1Z6
Created by admin on Sat Dec 16 13:09:16 GMT 2023 , Edited by admin on Sat Dec 16 13:09:16 GMT 2023
PRIMARY
CAS
2046-18-6
Created by admin on Sat Dec 16 13:09:16 GMT 2023 , Edited by admin on Sat Dec 16 13:09:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-068-7
Created by admin on Sat Dec 16 13:09:16 GMT 2023 , Edited by admin on Sat Dec 16 13:09:16 GMT 2023
PRIMARY
PUBCHEM
74897
Created by admin on Sat Dec 16 13:09:16 GMT 2023 , Edited by admin on Sat Dec 16 13:09:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID6062129
Created by admin on Sat Dec 16 13:09:16 GMT 2023 , Edited by admin on Sat Dec 16 13:09:16 GMT 2023
PRIMARY
NSC
1853
Created by admin on Sat Dec 16 13:09:16 GMT 2023 , Edited by admin on Sat Dec 16 13:09:16 GMT 2023
PRIMARY