4-Acetyl-4-(2-cyanoethyl)heptanedinitrile

CAS Registry Number®

126-50-1

CAS Name

4-Acetyl-4-(2-cyanoethyl)heptanedinitrile

Molecular Formula

C12H15N3O

Molecular Mass

217.27

Cite this Page

4-Acetyl-4-(2-cyanoethyl)heptanedinitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126-50-1 (retrieved 2024-11-28) (CAS RN: 126-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=JEQZAEPYFGSAIF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-
  • 4-Acetyl-4-(2-cyanoethyl)heptanedinitrile
  • 1,1,1-Tris(2-cyanoethyl)acetone
  • 1,1,1-Tris(β-cyanoethyl)acetone
  • 1,1,1-Tris(2-cyanoethyl)-2-propanone

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