chempirical

2-(2-Phenyldiazenyl)propanedinitrile

C9H6N4CAS 6017-21-6170.18 g/mol

Open in Covalent MOL file
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AzoNitrile

Properties

Molecular formula
C9H6N4
Molar mass
170.18 g/mol
Exact mass
170.0592 Da
Melting point
144–145 °C
logP
2.19Crippen estimate
Polar surface area
72.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
6017-21-6
SMILES
N#CC(C#N)N=Nc1ccccc1
InChIKey
KLMBASWITNCMTF-UHFFFAOYSA-N
InChI
InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,9H

Weigh it out

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

Names and synonyms

7 names
  • Propanedinitrile, 2-(2-phenyldiazenyl)-
  • Malononitrile, (phenylazo)-
  • Propanedinitrile, (phenylazo)-
  • (Phenylazo)malonitrile
  • (Phenylazo)malononitrile
  • NSC 263832
  • 2-(Phenyldiazenyl)malononitrile

Work with 2-(2-Phenyldiazenyl)propanedinitrile

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

Azobenzene103-33-348 % similar Solvent yellow 71689-82-337 % similar Aniline yellow60-09-337 % similar (+)-Mandelonitrile10020-96-935 % similar 4-(Phenylazo)diphenylamine101-75-735 % similar 2-Phenylpropionitrile1823-91-235 % similar Mandelonitrile532-28-535 % similar Phenyl isocyanate103-71-933 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook