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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5NO
Molecular Weight 83.0886
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Allyl isocyanate

SMILES

C=CCN=C=O

InChI

InChIKey=HXBPYFMVGFDZFT-UHFFFAOYSA-N
InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2

HIDE SMILES / InChI

Molecular Formula C4H5NO
Molecular Weight 83.0886
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 Tue Apr 01 19:49:07 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:07 GMT 2025
Record UNII
DK4CJU9MCX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-96964
Preferred Name English
Allyl isocyanate
Common Name English
Isocyanic acid, allyl ester
Systematic Name English
3-Isocyanatoprop-1-ene
Systematic Name English
3-Isocyanato-1-propene
Systematic Name English
1-Propene, 3-isocyanato-
Systematic Name English
Code System Code Type Description
NSC
96964
Created by admin on Tue Apr 01 19:49:07 GMT 2025 , Edited by admin on Tue Apr 01 19:49:07 GMT 2025
PRIMARY
PUBCHEM
15123
Created by admin on Tue Apr 01 19:49:07 GMT 2025 , Edited by admin on Tue Apr 01 19:49:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID8061719
Created by admin on Tue Apr 01 19:49:07 GMT 2025 , Edited by admin on Tue Apr 01 19:49:07 GMT 2025
PRIMARY
FDA UNII
DK4CJU9MCX
Created by admin on Tue Apr 01 19:49:07 GMT 2025 , Edited by admin on Tue Apr 01 19:49:07 GMT 2025
PRIMARY
CAS
1476-23-9
Created by admin on Tue Apr 01 19:49:07 GMT 2025 , Edited by admin on Tue Apr 01 19:49:07 GMT 2025
PRIMARY