chempirical

Tris(cyanoethyl)phosphine

C9H12N3PCAS 4023-53-4193.19 g/mol

Open in Covalent MOL file
NPNN
NitrilePhosphine

Properties

Molecular formula
C9H12N3P
Molar mass
193.19 g/mol
Exact mass
193.0769 Da
Melting point
97 °C
logP
2.21Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
4023-53-4
SMILES
N#CCCP(CCC#N)CCC#N
InChIKey
CHZAMJVESILJGH-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Propanenitrile, 3,3′,3′′-phosphinidynetris-
  • Propionitrile, 3,3′,3′′-phosphinidynetri-
  • Propionitrile, 3,3′,3′-phosphinidynetri-
  • 3,3′,3′′-Phosphinidynetris[propanenitrile]
  • Phosphine, tris(2-cyanoethyl)-
  • Tris(2-cyanoethyl)phosphine
  • Tris(β-cyanoethyl)phosphine
  • NSC 41940
  • 3,3′,3′′-Phosphinetriyltripropanenitrile

Work with Tris(cyanoethyl)phosphine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Succinonitrile110-61-253 % similar 3,3′-Thiodipropionitrile111-97-747 % similar Adiponitrile111-69-347 % similar Dodecanedinitrile4543-66-244 % similar Octanedinitrile629-40-344 % similar Pimelonitrile646-20-844 % similar Butyronitrile109-74-040 % similar 3-Hydroxypropionitrile109-78-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia