chempirical

[(Dimethylamino)methylene]propanedinitrile

C6H7N3CAS 16849-88-0121.14 g/mol

Open in Covalent MOL file
NNN
NitrileTertiary Amine

Properties

Molecular formula
C6H7N3
Molar mass
121.14 g/mol
Exact mass
121.0640 Da
Melting point
82–83 °C
Boiling point
155–160 °C (at 0.3 Torr)
logP
0.48Crippen estimate
Polar surface area
50.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
16849-88-0
SMILES
CN(C)C=C(C#N)C#N
InChIKey
LBUDLOYYNHQKQI-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3/c1-9(2)5-6(3-7)4-8/h5H,1-2H3

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Names and synonyms

8 names
  • Propanedinitrile, 2-[(dimethylamino)methylene]-
  • Malononitrile, [(dimethylamino)methylene]-
  • Propanedinitrile, [(dimethylamino)methylene]-
  • 2-[(Dimethylamino)methylene]propanedinitrile
  • [(Dimethylamino)methylene]malononitrile
  • NSC 168421
  • 2-[(Dimethylamino)methylidene]propanedinitrile
  • 2-(Dimethylaminomethylidene)propanedinitrile

Work with [(Dimethylamino)methylene]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

Elsewhere

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