chempirical

Nonanenitrile

C9H17NCAS 2243-27-8139.24 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C9H17N
Molar mass
139.24 g/mol
Exact mass
139.1361 Da
Density
0.9375 g/mL (at 8 °C)
Melting point
−34.2 °C
Boiling point
224.4 °C
logP
3.26Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
2243-27-8
SMILES
CCCCCCCCC#N
InChIKey
PLZZPPHAMDJOSR-UHFFFAOYSA-N
InChI
InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Pelargonitrile
  • n-Nonanonitrile
  • 1-Cyanooctane
  • Nonanonitrile
  • n-Nonanenitrile
  • n-Octyl cyanide
  • Octyl cyanide
  • 1-Octyl cyanide
  • Pelargononitrile
  • Nonanitrile
  • NSC 5560

Work with Nonanenitrile

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 Undecanenitrile2244-07-7100 % 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. All similar compounds

Same formula

2-Isocyano-2,4,4-trimethylpentane14542-93-9 Decahydroquinoline2051-28-7 2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-8 Decahydroisoquinoline6329-61-9 N-2-Propen-1-ylcyclohexanamine6628-00-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook