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

Details

Stereochemistry RACEMIC
Molecular Formula C7H11NO2
Molecular Weight 141.1677
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 2-cyanobutanoate

SMILES

CCOC(=O)C(CC)C#N

InChI

InChIKey=FCISHUHNFYJJDU-UHFFFAOYSA-N
InChI=1S/C7H11NO2/c1-3-6(5-8)7(9)10-4-2/h6H,3-4H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl 2-cyanobutanoate
Systematic Name English
Butyric acid, α-cyano-, Et ester
Common Name English
NSC-1101
Code English
Butanoic acid, 2-cyano-, ethyl ester
Systematic Name English
Butyric acid, 2-cyano-, ethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
HC5NP58RS6
Created by admin on Sat Dec 16 19:16:11 GMT 2023 , Edited by admin on Sat Dec 16 19:16:11 GMT 2023
PRIMARY
PUBCHEM
219611
Created by admin on Sat Dec 16 19:16:11 GMT 2023 , Edited by admin on Sat Dec 16 19:16:11 GMT 2023
PRIMARY
CAS
1619-58-5
Created by admin on Sat Dec 16 19:16:11 GMT 2023 , Edited by admin on Sat Dec 16 19:16:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID80277197
Created by admin on Sat Dec 16 19:16:11 GMT 2023 , Edited by admin on Sat Dec 16 19:16:11 GMT 2023
PRIMARY
NSC
1101
Created by admin on Sat Dec 16 19:16:11 GMT 2023 , Edited by admin on Sat Dec 16 19:16:11 GMT 2023
PRIMARY