chempirical

Hydrogenated mdi

C15H22N2O2CAS 5124-30-1262.35 g/mol

Open in Covalent MOL file
ONNO
Isocyanate

Properties

Molecular formula
C15H22N2O2
Molar mass
262.35 g/mol
Exact mass
262.1681 Da
Density
1.07 g/mL
Melting point
142–148 °C
Boiling point
156–158 °C (at 0.1 Torr)
logP
3.17Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
5124-30-1
SMILES
O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1
InChIKey
KORSJDCBLAPZEQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2

Weigh it out

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

Names and synonyms

31 names · show all
  • Cyclohexane, 1,1′-methylenebis[4-isocyanato-
  • Isocyanic acid, methylenedi-4,1-cyclohexylene ester
  • Isocyanic acid, methylenedi-1,4-cyclohexylene ester
  • Methane, bis(4-isocyanatocyclohexyl)-
  • 1,1′-Methylenebis[4-isocyanatocyclohexane]
  • Dicyclohexylmethane 4,4′-diisocyanate
  • Bis(4-isocyanatocyclohexyl)methane
  • Methylenebis(4-cyclohexyl isocyanate)
  • 4,4′-Diisocyanatodicyclohexylmethane
  • Methylenedi-4-cyclohexylene diisocyanate
  • Methylenedi-1,4-cyclohexylene isocyanate
  • Methylenedi-4,1-cyclohexylene isocyanate
  • Methylenebis(1,4-cyclohexylene) diisocyanate
  • Methylenebis(4-isocyanatocyclohexane)
  • 4,4′-Methylenebis(cyclohexyl isocyanate)
  • 4,4′-Methylenedicyclohexyl diisocyanate
  • 1,1-Methylene bis(4-isocyanatocyclohexane)
  • 4,4′-Dicyclohexylmethylene diisocyanate
  • Methylenedicyclohexylene-4,4′-diisocyanate
  • 4,4′-Methylenedicyclohexylene diisocyanate
  • H12MDI
  • Perhydrodiphenylmethane-4,4′-diisocyanate
  • 4,4′-Di(isocyanatocyclohexyl)methane
  • Methylene bis(p-cyclohexyl isocyanate)
  • 4,4′-Cyclohexylmethanediisocyanate
  • Hydrogenated diphenylmethane diisocyanate
  • Hydrogenated 4,4′-diphenylmethane diisocyanate
  • HMDI
  • 4,4′-Methylenebis(4-cyclohexylisocyanate)
  • 1-Isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
  • 4,4′-(Methylene)di(isocyanatocyclohexane)

Work with Hydrogenated mdi

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

Cyclopentyl isocyanate4747-71-161 % similar Cyclohexyl isocyanate3173-53-358 % similar trans-1-Isocyanato-4-methylcyclohexane32175-00-158 % similar Isopropyl isocyanate1795-48-835 % similar Cyclopropyl isothiocyanate56601-42-435 % similar 4,4'-Diaminodicyclohexylmethane1761-71-331 % similar Isophorone diisocyanate4098-71-930 % similar

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

Elsewhere

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