Pimelonitrile
Properties
- Molecular formula
- C7H10N2
- Molar mass
- 122.17 g/mol
- Exact mass
- 122.0844 Da
- Density
- 0.9507 g/mL (at 15 °C)
- Melting point
- −31.4 °C
- Boiling point
- 155 °C
- logP
- 1.98Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H312 Harmful in contact with skin95.1% of notifiers
- H332 Harmful if inhaled95.1% of notifiers
Aggregated from 41 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
646-20-8SMILES
N#CCCCCCC#NInChIKey
LLEVMYXEJUDBTA-UHFFFAOYSA-NInChI
InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Heptanedinitrile
- Pimelic acid dinitrile
- 1,5-Dicyanopentane
- NSC 5392
- 1,7-Heptanedinitrile
Work with Pimelonitrile
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
Nonanedinitrile1675-69-0100 % similar
Sebaconitrile1871-96-1100 % similar
Dodecanedinitrile4543-66-2100 % similar
Octanedinitrile629-40-3100 % similar
Adiponitrile111-69-392 % similar
Glutaronitrile544-13-877 % similar
Octanenitrile124-12-967 % similar
Decanenitrile1975-78-667 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.