Hydrogenated MDI

C₁₅H₂₂N₂O₂CAS 5124-30-1262.35 g/mol

Open in Covalent MOL file

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)
Flash point: 201.7 °C
logP: 3.17Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Danger

H315 Causes skin irritationSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation
H331 Toxic if inhaledAcute toxicity, inhalation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation

Harmonised EU classification (CLP Annex VI, index 615-009-00-0), via PubChem.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

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 1-Isocyanatoadamantane4411-25-038 % 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

Same formula

Ferrostatin-1347174-05-4 tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate351360-61-7 tert-Butyl 3-phenylpiperazine-1-carboxylate502649-25-4

Elsewhere

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