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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO
Molecular Weight 147.1739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PHENETHYL ISOCYANATE

SMILES

O=C=NCCC1=CC=CC=C1

InChI

InChIKey=HACRKYQRZABURO-UHFFFAOYSA-N
InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

HIDE SMILES / InChI

Molecular Formula C9H9NO
Molecular Weight 147.1739
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:24:44 GMT 2025
Edited
by admin
on Mon Mar 31 19:24:44 GMT 2025
Record UNII
W78MJV7AIA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENETHYL ISOCYANATE
Common Name English
ISOCYANIC ACID, PHENETHYL ESTER
Preferred Name English
BENZENE, (2-ISOCYANATOETHYL)-
Systematic Name English
(2-ISOCYANATOETHYL)BENZENE
Systematic Name English
Code System Code Type Description
CHEBI
60067
Created by admin on Mon Mar 31 19:24:44 GMT 2025 , Edited by admin on Mon Mar 31 19:24:44 GMT 2025
PRIMARY
CAS
1943-82-4
Created by admin on Mon Mar 31 19:24:44 GMT 2025 , Edited by admin on Mon Mar 31 19:24:44 GMT 2025
PRIMARY
PUBCHEM
160602
Created by admin on Mon Mar 31 19:24:44 GMT 2025 , Edited by admin on Mon Mar 31 19:24:44 GMT 2025
PRIMARY
FDA UNII
W78MJV7AIA
Created by admin on Mon Mar 31 19:24:44 GMT 2025 , Edited by admin on Mon Mar 31 19:24:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID10173052
Created by admin on Mon Mar 31 19:24:44 GMT 2025 , Edited by admin on Mon Mar 31 19:24:44 GMT 2025
PRIMARY