chempirical

Dodecyl isocyanate

C13H25NOCAS 4202-38-4211.35 g/mol

Open in Covalent MOL file
NO
Isocyanate

Properties

Molecular formula
C13H25NO
Molar mass
211.35 g/mol
Exact mass
211.1936 Da
Boiling point
140–145 °C (at 11 Torr)
logP
4.24Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
11

Identifiers

CAS number
4202-38-4
SMILES
CCCCCCCCCCCCN=C=O
InChIKey
YIDSTEJLDQMWBR-UHFFFAOYSA-N
InChI
InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Dodecane, 1-isocyanato-
  • Isocyanic acid, dodecyl ester
  • 1-Isocyanatododecane
  • Lauryl isocyanate
  • 1-Dodecyl isocyanate

Work with Dodecyl 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

Octadecyl isocyanate112-96-9100 % similar Hexyl isocyanate2525-62-4100 % similar Octyl isocyanate3158-26-7100 % 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

Same formula

N-Ethyl-P-menthane-3-carboxamide39711-79-0 N,N,N-Trimethyl-1-adamantammonium hydroxide53075-09-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook