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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15N3O
Molecular Weight 217.267
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1,1-TRIS(2-CYANOETHYL)ACETONE

SMILES

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

InChI

InChIKey=JEQZAEPYFGSAIF-UHFFFAOYSA-N
InChI=1S/C12H15N3O/c1-11(16)12(5-2-8-13,6-3-9-14)7-4-10-15/h2-7H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1,1,1-TRIS(2-CYANOETHYL)ACETONE
Systematic Name English
NSC-147707
Code English
HEPTANEDINITRILE, 4-ACETYL-4-(2-CYANOETHYL)-
Systematic Name English
NSC-680511
Code English
4-ACETYL-4-(2-CYANOETHYL)HEPTANEDINITRILE
Systematic Name English
1,1,1-TRIS(2-CYANOETHYL)-2-PROPANONE
Systematic Name English
1,1,1-TRIS(.BETA.-CYANOETHYL)ACETONE
Systematic Name English
1,7-HEPTANEDINITRILE, 4-ACETYL-4-(2-CYANOETHYL)-
Systematic Name English
Code System Code Type Description
NSC
147707
Created by admin on Sat Dec 16 12:02:31 GMT 2023 , Edited by admin on Sat Dec 16 12:02:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID90155038
Created by admin on Sat Dec 16 12:02:31 GMT 2023 , Edited by admin on Sat Dec 16 12:02:31 GMT 2023
PRIMARY
PUBCHEM
31349
Created by admin on Sat Dec 16 12:02:31 GMT 2023 , Edited by admin on Sat Dec 16 12:02:31 GMT 2023
PRIMARY
FDA UNII
M2YBH5Y6K7
Created by admin on Sat Dec 16 12:02:31 GMT 2023 , Edited by admin on Sat Dec 16 12:02:31 GMT 2023
PRIMARY
CAS
126-50-1
Created by admin on Sat Dec 16 12:02:31 GMT 2023 , Edited by admin on Sat Dec 16 12:02:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-787-3
Created by admin on Sat Dec 16 12:02:31 GMT 2023 , Edited by admin on Sat Dec 16 12:02:31 GMT 2023
PRIMARY
NSC
680511
Created by admin on Sat Dec 16 12:02:31 GMT 2023 , Edited by admin on Sat Dec 16 12:02:31 GMT 2023
PRIMARY