chempirical

Octadecyl isocyanate

C19H37NOCAS 112-96-9295.51 g/mol

Open in Covalent MOL file
NO
Isocyanate

Properties

Molecular formula
C19H37NO
Molar mass
295.51 g/mol
Exact mass
295.2875 Da
Melting point
15–16 °C
Boiling point
190–210 °C (at 10 Torr)
logP
6.58Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
17

Identifiers

CAS number
112-96-9
SMILES
CCCCCCCCCCCCCCCCCCN=C=O
InChIKey
QWDQYHPOSSHSAW-UHFFFAOYSA-N
InChI
InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Baykanol OI
  • Mondur O
  • n-Octadecyl isocyanate
  • 1-Octadecyl isocyanate
  • Millionate O
  • NSC 66466
  • ODI
  • Octadecane, 1-isocyanato-
  • Isocyanic acid, octadecyl ester
  • 1-Isocyanatooctadecane
  • Stearyl isocyanate

Work with Octadecyl isocyanate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexyl isocyanate2525-62-4100 % similar Octyl isocyanate3158-26-7100 % similar Dodecyl isocyanate4202-38-4100 % similar Butyl isocyanate111-36-482 % similar Hexamethylene diisocyanate822-06-071 % similar Tetramethylene diisocyanate4538-37-867 % similar Propyl isocyanate110-78-165 % similar Dodecyl isothiocyanate1072-32-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook