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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
Names and Synonyms:
Hydrogenated Mdi
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)
Hydrogenated MDI
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)
Identifiers:
SMILES:
O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1
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
Key Properties
Boiling Point
156-158 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
142-148 °C
CAS Common Chemistry
Density
1.07 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.35 g/mol | CAS Common Chemistry |
| 262.35299999999995 g/mol | RDKit | |
| 262.168127944 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 |
| Boiling Point | 156-158 °C @ Press: 0.1 Torr | 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 |
| Molar Refractivity | 72.35200000000005 | RDKit |
