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4,4'-Diaminodicyclohexylmethane
CAS: 1761-71-3 | C13H26N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1761-71-3
Molecular Formula:
C13H26N2
Molecular Mass:
210.37 g/mol
Names and Synonyms:
4,4'-Diaminodicyclohexylmethane
Cyclohexanamine, 4,4′-methylenebis-
Cyclohexylamine, 4,4′-methylenebis-
Cyclohexylamine, 4,4-methylenebis-
4,4′-Methylenebis[cyclohexanamine]
Bis(p-aminocyclohexyl)methane
4,4′-Methylenebis(cyclohexylamine)
p,p′-Diaminodicyclohexylmethane
Bis(4-aminocyclohexyl)methane
4,4′-Methylenedicyclohexylamine
4,4′-Diaminodicyclohexylmethane
4,4′-Methylenebis(aminocyclohexane)
Methylenebis(4-aminocyclohexane)
HLR 4219
HLR 4448
PACM 20
Di(p-aminocyclohexyl)methane
4,4′-Methylenedicyclohexanamine
Amicure PACM
Dicyclohexylmethane-4,4′-diamine
Wondamine HM
PACM
Methylenebis(4-cyclohexylamine)
Amicure PACM 20
S 509361
4-(4-Aminocyclohexylmethyl)cyclohexanamine
Dicyan
4,4′-Methylenedicyclohexyldiamine
4-(4-Aminocyclohexylmethyl)-1-cyclohexylamine
4,4′-Diaminocyclohexylmethane
Bis(p-aminocyclohexane)methane
Vestamin PACM
DDCM
Resoltech 1084
BACM
Identifiers:
SMILES:
NC1CCC(CC2CCC(N)CC2)CC1
InChI:
InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2
Key Properties
Boiling Point
320 °C
CAS Common Chemistry
Melting Point
15 °C
CAS Common Chemistry
Density
0.96 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 | 210.37 g/mol | CAS Common Chemistry |
| 210.36499999999995 g/mol | RDKit | |
| 210.20959883199998 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9608 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%27-Diaminodicyclohexylmethane | CAS Common Chemistry |
| Boiling Point | 320 °C | CAS Common Chemistry |
| Canonical SMILES | NC1CCC(CC1)CC2CCC(N)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DZIHTWJGPDVSGE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15 °C | CAS Common Chemistry |
| Name | 4,4′-Diaminodicyclohexylmethane | CAS Common Chemistry |
| 4,4'-Diaminodicyclohexylmethane | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 2.4115 | RDKit |
| Molar Refractivity | 64.48380000000004 | RDKit |
