chempirical

2-Methyleneglutaronitrile

C6H6N2CAS 1572-52-7106.13 g/mol

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NN
AlkeneNitrile

Properties

Molecular formula
C6H6N2
Molar mass
106.13 g/mol
Exact mass
106.0531 Da
Density
0.9756 g/mL (at 25 °C)
Melting point
134–135 °C
Boiling point
75–78 °C (at 0.15 Torr)
logP
1.37Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1572-52-7
SMILES
C=C(C#N)CCC#N
InChIKey
NGCJVMZXRCLPRQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2

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Names and synonyms

9 names
  • Pentanedinitrile, 2-methylene-
  • Glutaronitrile, 2-methylene-
  • 2-Methylenepentanedinitrile
  • α-Methyleneglutaronitrile
  • 2,4-Dicyano-1-butene
  • α-Methyleneglutarodinitrile
  • 2-Methyleneglutarodinitrile
  • α-Cyanoethylacrylonitrile
  • 2-Methylidenepentanedinitrile

Work with 2-Methyleneglutaronitrile

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

Adiponitrile111-69-335 % similar 1-Cyclohexene-1-carbonitrile1855-63-633 % similar 1-Cyclopentene-1-acetonitrile22734-04-933 % similar Dodecanedinitrile4543-66-233 % similar Octanedinitrile629-40-333 % similar Pimelonitrile646-20-833 % similar 3-Hydroxypropionitrile109-78-431 % similar Idpn (chemical)111-94-431 % similar

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

Same formula

3-Hexenedinitrile1119-85-3 Isopropylidenemalononitrile13166-10-4 Vinylpyrazine4177-16-6

Elsewhere

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