Sebaconitrile
Properties
- Molecular formula
- C10H16N2
- Molar mass
- 164.25 g/mol
- Exact mass
- 164.1313 Da
- Density
- 0.913 g/mL (at 20 °C)
- Melting point
- 8.03 °C
- Boiling point
- 204 °C
- logP
- 3.15Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 7
Hazards
Danger
- H301 Toxic if swallowed90.9% of notifiers
- H315 Causes skin irritation90.9% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H335 May cause respiratory irritation88.6% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1871-96-1SMILES
N#CCCCCCCCCC#NInChIKey
DFJYZCUIKPGCSG-UHFFFAOYSA-NInChI
InChI=1S/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Decanedinitrile
- 1,8-Dicyanooctane
- NSC 39461
Reactions
Work with Sebaconitrile
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
Dodecanedinitrile4543-66-2100 % similar
Octanedinitrile629-40-3100 % similar
Pimelonitrile646-20-8100 % 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. All similar compounds