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Details

Stereochemistry ACHIRAL
Molecular Formula C6H11NO
Molecular Weight 113.1576
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ISOPROPOXYPROPIONONITRILE

SMILES

CC(C)OCCC#N

InChI

InChIKey=BMSYXLRQGIFLFO-UHFFFAOYSA-N
InChI=1S/C6H11NO/c1-6(2)8-5-3-4-7/h6H,3,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H11NO
Molecular Weight 113.1576
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:22:11 GMT 2025
Edited
by admin
on Tue Apr 01 19:22:11 GMT 2025
Record UNII
NQ9G6S48X9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPANENITRILE, 3-(1-METHYLETHOXY)-
Preferred Name English
3-ISOPROPOXYPROPIONONITRILE
Systematic Name English
3-(1-METHYLETHOXY)PROPANENITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
66969
Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-771-3
Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025
PRIMARY
CAS
110-47-4
Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID4059388
Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025
PRIMARY
FDA UNII
NQ9G6S48X9
Created by admin on Tue Apr 01 19:22:11 GMT 2025 , Edited by admin on Tue Apr 01 19:22:11 GMT 2025
PRIMARY