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Molecule
Hydrogenated Mdi
CAS: 5124-30-1 · C15H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5124-30-1
- Molecular Formula
- C15H22N2O2
- Molecular Mass
- 262.35 g/mol
Identifiers
CAS Registry Number
5124-30-1
SMILES
O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1
InChI Key
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
Names and Synonyms
- Hydrogenated Mdi Common Name
- Cyclohexane, 1,1′-methylenebis[4-isocyanato- Synonym
- Isocyanic acid, methylenedi-4,1-cyclohexylene ester Synonym
- Isocyanic acid, methylenedi-1,4-cyclohexylene ester Synonym
- Methane, bis(4-isocyanatocyclohexyl)- Synonym
- 1,1′-Methylenebis[4-isocyanatocyclohexane] Synonym
- Dicyclohexylmethane 4,4′-diisocyanate Synonym
- Bis(4-isocyanatocyclohexyl)methane Synonym
- Methylenebis(4-cyclohexyl isocyanate) Synonym
- 4,4′-Diisocyanatodicyclohexylmethane Synonym
- Methylenedi-4-cyclohexylene diisocyanate Synonym
- Methylenedi-1,4-cyclohexylene isocyanate Synonym
- Methylenedi-4,1-cyclohexylene isocyanate Synonym
- Methylenebis(1,4-cyclohexylene) diisocyanate Synonym
- Methylenebis(4-isocyanatocyclohexane) Synonym
- 4,4′-Methylenebis(cyclohexyl isocyanate) Synonym
- Hydrogenated MDI Synonym
- 4,4′-Methylenedicyclohexyl diisocyanate Synonym
- 1,1-Methylene bis(4-isocyanatocyclohexane) Synonym
- 4,4′-Dicyclohexylmethylene diisocyanate Synonym
- Methylenedicyclohexylene-4,4′-diisocyanate Synonym
- 4,4′-Methylenedicyclohexylene diisocyanate Synonym
- H12MDI Synonym
- Perhydrodiphenylmethane-4,4′-diisocyanate Synonym
- 4,4′-Di(isocyanatocyclohexyl)methane Synonym
- Methylene bis(p-cyclohexyl isocyanate) Synonym
- 4,4′-Cyclohexylmethanediisocyanate Synonym
- Hydrogenated diphenylmethane diisocyanate Synonym
- Hydrogenated 4,4′-diphenylmethane diisocyanate Synonym
- HMDI Synonym
- 4,4′-Methylenebis(4-cyclohexylisocyanate) Synonym
- 1-Isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane Synonym
- 4,4′-(Methylene)di(isocyanatocyclohexane) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.35 g/mol | CAS Common Chemistry |
| 262.35299999999995 g/mol | RDKit | |
| 262.353 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.07 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hydrogenated_MDI | CAS Common Chemistry |
| Canonical SMILES | O=C=NC1CCC(CC1)CC2CCC(N=C=O)CC2 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=KORSJDCBLAPZEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142-148 °C | CAS Common Chemistry |
| Name | Hydrogenated MDI | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.86 Ų | RDKit |
| LogP | 3.165700000000002 | RDKit |
| 3.1657 | RDKit | |
| 3.22 | chempirical lib | |
| Molar Refractivity | 72.35200000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8667 | RDKit |
| 0.87 | chempirical lib | |
| Exact Mass | 262.168127944 g/mol | RDKit |
| Boiling Point | 156-158 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 262.35 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
