U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H7NO
Molecular Weight 85.1045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Isopropyl isocyanate

SMILES

CC(C)N=C=O

InChI

InChIKey=GSLTVFIVJMCNBH-UHFFFAOYSA-N
InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Isopropyl isocyanate
Systematic Name English
Propane, 2-isocyanato-
Preferred Name English
2-Isocyanatopropane
Systematic Name English
Code System Code Type Description
CAS
1795-48-8
Created by admin on Tue Apr 01 19:03:45 GMT 2025 , Edited by admin on Tue Apr 01 19:03:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID3061976
Created by admin on Tue Apr 01 19:03:45 GMT 2025 , Edited by admin on Tue Apr 01 19:03:45 GMT 2025
PRIMARY
ECHA (EC/EINECS)
217-276-5
Created by admin on Tue Apr 01 19:03:45 GMT 2025 , Edited by admin on Tue Apr 01 19:03:45 GMT 2025
PRIMARY
FDA UNII
K7N2Z27VQ9
Created by admin on Tue Apr 01 19:03:45 GMT 2025 , Edited by admin on Tue Apr 01 19:03:45 GMT 2025
PRIMARY
PUBCHEM
61277
Created by admin on Tue Apr 01 19:03:45 GMT 2025 , Edited by admin on Tue Apr 01 19:03:45 GMT 2025
PRIMARY