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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13N
Molecular Weight 171.2383
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PHENYLCYCLOPENTANECARBONITRILE

SMILES

N#CC1(CCCC1)C2=CC=CC=C2

InChI

InChIKey=GDXMFFGTPGAGGX-UHFFFAOYSA-N
InChI=1S/C12H13N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

HIDE SMILES / InChI

Molecular Formula C12H13N
Molecular Weight 171.2383
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 19:42:54 GMT 2025
Edited
by admin
on Tue Apr 01 19:42:54 GMT 2025
Record UNII
H4L4UA4Y3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-18928
Preferred Name English
1-PHENYLCYCLOPENTANECARBONITRILE
Systematic Name English
1-PHENYLCYCLOPENTANENITRILE
Common Name English
CYCLOPENTANECARBONITRILE, 1-PHENYL-
Systematic Name English
1-PHENYLCYCLOPENTANE-1-CARBONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
H4L4UA4Y3J
Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-038-2
Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025
PRIMARY
PUBCHEM
66168
Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID60227812
Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025
PRIMARY
NSC
18928
Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025
PRIMARY
CAS
77-57-6
Created by admin on Tue Apr 01 19:42:54 GMT 2025 , Edited by admin on Tue Apr 01 19:42:54 GMT 2025
PRIMARY