chempirical

2-Methylglutaronitrile

C6H8N2CAS 4553-62-2108.14 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C6H8N2
Molar mass
108.14 g/mol
Exact mass
108.0687 Da
Density
0.9548 g/mL (at 20 °C)
Melting point
−45 °C
Boiling point
263 °C
logP
1.45Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
4553-62-2
SMILES
CC(C#N)CCC#N
InChIKey
FPPLREPCQJZDAQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Pentanedinitrile, 2-methyl-
  • Glutaronitrile, 2-methyl-
  • 2-Methylpentanedinitrile
  • α-Methylglutarodinitrile
  • 2,4-Dicyanobutane
  • 1,3-Dicyanobutane
  • α-Methylglutaronitrile
  • Diacrylonitrile
  • Dytek MGN

Work with 2-Methylglutaronitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methylpentanenitrile542-54-154 % similar 4,4-Dimethoxybutanenitrile14618-78-148 % similar 1,3,6-Hexanetricarbonitrile1772-25-446 % similar Succinonitrile110-61-238 % similar Butyronitrile109-74-036 % similar Isovaleronitrile625-28-535 % similar Pentanenitrile110-59-833 % similar 3-Cyano-1,1-propanedicarboxylic acid diethyl ester17216-62-533 % similar

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

Same formula

3-Cyclopropyl-1H-pyrazole100114-57-6 Phenylhydrazine100-63-0 P-Phenylenediamine106-50-3 M-Phenylenediamine108-45-2 2,6-Dimethylpyrazine108-50-9 Adiponitrile111-69-3 4-(Methylamino)pyridine1121-58-0 2,5-Dimethylpyrazine123-32-0

Elsewhere

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