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Molecule
4,4'-Diaminodicyclohexylmethane
CAS: 1761-71-3 · C13H26N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1761-71-3
- Molecular Formula
- C13H26N2
- Molecular Mass
- 210.37 g/mol
Identifiers
CAS Registry Number
1761-71-3
SMILES
NC1CCC(CC2CCC(N)CC2)CC1
InChI Key
DZIHTWJGPDVSGE-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4'-Diaminodicyclohexylmethane Synonym
- Cyclohexanamine, 4,4′-methylenebis- Synonym
- Cyclohexylamine, 4,4′-methylenebis- Synonym
- Cyclohexylamine, 4,4-methylenebis- Synonym
- 4,4′-Methylenebis[cyclohexanamine] Synonym
- Bis(p-aminocyclohexyl)methane Synonym
- 4,4′-Methylenebis(cyclohexylamine) Synonym
- p,p′-Diaminodicyclohexylmethane Synonym
- Bis(4-aminocyclohexyl)methane Synonym
- 4,4′-Methylenedicyclohexylamine Synonym
- 4,4′-Diaminodicyclohexylmethane Synonym
- 4,4′-Methylenebis(aminocyclohexane) Synonym
- Methylenebis(4-aminocyclohexane) Synonym
- HLR 4219 Synonym
- HLR 4448 Synonym
- PACM 20 Synonym
- Di(p-aminocyclohexyl)methane Synonym
- 4,4′-Methylenedicyclohexanamine Synonym
- Amicure PACM Synonym
- Dicyclohexylmethane-4,4′-diamine Synonym
- Wondamine HM Synonym
- PACM Synonym
- Methylenebis(4-cyclohexylamine) Synonym
- Amicure PACM 20 Synonym
- S 509361 Synonym
- 4-(4-Aminocyclohexylmethyl)cyclohexanamine Synonym
- Dicyan Synonym
- 4,4′-Methylenedicyclohexyldiamine Synonym
- 4-(4-Aminocyclohexylmethyl)-1-cyclohexylamine Synonym
- 4,4′-Diaminocyclohexylmethane Synonym
- Bis(p-aminocyclohexane)methane Synonym
- Vestamin PACM Synonym
- DDCM Synonym
- Resoltech 1084 Synonym
- BACM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.37 g/mol | CAS Common Chemistry |
| 210.36499999999995 g/mol | RDKit | |
| 210.365 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9608 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 210.20959883199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 210.37 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H26N2.
