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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 PROPYL ISOCYANATE

SMILES

CCCN=C=O

InChI

InChIKey=OQURWGJAWSLGQG-UHFFFAOYSA-N
InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3

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 19:23:19 GMT 2025
Edited
by admin
on Tue Apr 01 19:23:19 GMT 2025
Record UNII
EW62LG5TQ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYL ISOCYANATE
Systematic Name English
NSC-89688
Preferred Name English
1-ISOCYANATOPROPANE
Systematic Name English
ISOCYANIC ACID, PROPYL ESTER
Systematic Name English
PROPANE, 1-ISOCYANATO-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
203-803-6
Created by admin on Tue Apr 01 19:23:19 GMT 2025 , Edited by admin on Tue Apr 01 19:23:19 GMT 2025
PRIMARY
CAS
110-78-1
Created by admin on Tue Apr 01 19:23:19 GMT 2025 , Edited by admin on Tue Apr 01 19:23:19 GMT 2025
PRIMARY
PUBCHEM
61033
Created by admin on Tue Apr 01 19:23:19 GMT 2025 , Edited by admin on Tue Apr 01 19:23:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID5051571
Created by admin on Tue Apr 01 19:23:19 GMT 2025 , Edited by admin on Tue Apr 01 19:23:19 GMT 2025
PRIMARY
NSC
89688
Created by admin on Tue Apr 01 19:23:19 GMT 2025 , Edited by admin on Tue Apr 01 19:23:19 GMT 2025
PRIMARY
FDA UNII
EW62LG5TQ7
Created by admin on Tue Apr 01 19:23:19 GMT 2025 , Edited by admin on Tue Apr 01 19:23:19 GMT 2025
PRIMARY