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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

Molecular Formula C4H7NO
Molecular Weight 85.1045
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 19:03:45 GMT 2025
Edited
by admin
on Tue Apr 01 19:03:45 GMT 2025
Record UNII
K7N2Z27VQ9
Record Status Validated (UNII)
Record Version
  • Download
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