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Details

Stereochemistry ACHIRAL
Molecular Formula C8H7N
Molecular Weight 117.1479
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLACETONITRILE

SMILES

N#CCC1=CC=CC=C1

InChI

InChIKey=SUSQOBVLVYHIEX-UHFFFAOYSA-N
InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

HIDE SMILES / InChI

Molecular Formula C8H7N
Molecular Weight 117.1479
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 Fri Dec 15 17:47:28 UTC 2023
Edited
by admin
on Fri Dec 15 17:47:28 UTC 2023
Record UNII
23G40PRP93
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYLACETONITRILE
Systematic Name English
BENZYL CYANIDE [HSDB]
Common Name English
TRIAMTERENE IMPURITY D [EP IMPURITY]
Common Name English
BENZYL CYANIDE
HSDB   MI  
Systematic Name English
NSC-118418
Code English
BENZYL CYANIDE [MI]
Common Name English
Classification Tree Code System Code
DEA NO. 8735
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
Code System Code Type Description
HSDB
2103
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
PUBCHEM
8794
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID2021492
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
MERCK INDEX
m2404
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
205-410-5
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
NSC
118418
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
MESH
C006725
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
CHEBI
25979
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
CAS
140-29-4
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
FDA UNII
23G40PRP93
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
WIKIPEDIA
BENZYL CYANIDE
Created by admin on Fri Dec 15 17:47:28 UTC 2023 , Edited by admin on Fri Dec 15 17:47:28 UTC 2023
PRIMARY
Related Record Type Details
IMPURITY -> PARENT
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP