chempirical

Undecyl isocyanate

C12H23NOCAS 2411-58-7197.32 g/mol

Open in Covalent MOL file
NO
Isocyanate

Properties

Molecular formula
C12H23NO
Molar mass
197.32 g/mol
Exact mass
197.1780 Da
logP
3.85Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
10

Identifiers

CAS number
2411-58-7
SMILES
CCCCCCCCCCCN=C=O
InChIKey
JXAYHHMVMJVFPQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-9-10-11-13-12-14/h2-11H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • 1-Isocyanatoundecane
  • Undecylisocyanat
  • 1-Isocyanato-undecane

Work with Undecyl 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 Dodecyl isocyanate4202-38-4100 % similar Butyl isocyanate111-36-482 % similar Tetramethylene diisocyanate4538-37-867 % similar 1-Isothiocyanatooctadecane2877-26-156 % similar Hexyl isothiocyanate4404-45-956 % similar

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

Same formula

N-Octylpyrrolidone2687-94-7 Laurolactam947-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook