Undecanenitrile
Properties
- Molecular formula
- C11H21N
- Molar mass
- 167.30 g/mol
- Exact mass
- 167.1674 Da
- Boiling point
- 253 °C
- logP
- 4.04Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 8
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin97.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled97.6% of notifiers
- H335 May cause respiratory irritation95.1% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2244-07-7SMILES
CCCCCCCCCCC#NInChIKey
SZKKNEOUHLFYNA-UHFFFAOYSA-NInChI
InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Hendecanenitrile
- Undecanonitrile
- 1-Decyl cyanide
- n-Undecanonitrile
- 1-Cyanodecane
- NSC 4026
- Decyl cyanide
Work with Undecanenitrile
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
Octanenitrile124-12-9100 % similar
Decanenitrile1975-78-6100 % similar
Nonanenitrile2243-27-8100 % similar
Dodecanenitrile2437-25-4100 % similar
Heptanenitrile629-08-3100 % similar
Tridecanenitrile629-60-7100 % similar
Octadecanenitrile638-65-3100 % similar
Hexanenitrile628-73-994 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.