Glutaronitrile
Properties
- Molecular formula
- C5H6N2
- Molar mass
- 94.12 g/mol
- Exact mass
- 94.0531 Da
- Density
- 0.9793 g/mL (at 30 °C)
- Melting point
- −29 °C
- Boiling point
- 286 °C
- logP
- 1.20Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H312 Harmful in contact with skin86.4% of notifiers
- H332 Harmful if inhaled86.4% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, P501
Identifiers
CAS number
544-13-8SMILES
N#CCCCC#NInChIKey
ZTOMUSMDRMJOTH-UHFFFAOYSA-NInChI
InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Pentanedinitrile
- Glutaric acid dinitrile
- 1,3-Dicyanopropane
- Glutarodinitrile
- Glutaric dinitrile
- 1,5-Pentanedinitrile
- NSC 3807
Reactions
Work with Glutaronitrile
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
Adiponitrile111-69-383 % similar
Nonanedinitrile1675-69-077 % similar
Sebaconitrile1871-96-177 % similar
Dodecanedinitrile4543-66-277 % similar
Octanedinitrile629-40-377 % similar
Pimelonitrile646-20-877 % similar
Succinonitrile110-61-267 % similar
5-Hexynenitrile14918-21-965 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.