2-Methylglutaronitrile
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
- Water solubility
- 10–50 g/L (21.5 °C)
- logP
- 1.45Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301+H311 Toxic if swallowed or in contact with skin97.1% of notifiers
- H301 Toxic if swallowed98.6% of notifiers
- H311 Toxic in contact with skin98.6% of notifiers
- H330 Fatal if inhaled98.6% of notifiers
Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, P501
Identifiers
CAS number
4553-62-2SMILES
CC(C#N)CCC#NInChIKey
FPPLREPCQJZDAQ-UHFFFAOYSA-NInChI
InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3Weigh 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
Isobutyronitrile78-82-039 % similar
Succinonitrile110-61-238 % similar
Butyronitrile109-74-036 % similar
Glutaronitrile544-13-835 % similar
Isovaleronitrile625-28-535 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.