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Molecule
Methyldicyclohexylamine
CAS: 7560-83-0 · C13H25N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7560-83-0
- Molecular Formula
- C13H25N
- Molecular Mass
- 195.35 g/mol
Identifiers
CAS Registry Number
7560-83-0
SMILES
CN(C1CCCCC1)C1CCCCC1
InChI Key
GSCCALZHGUWNJW-UHFFFAOYSA-N
InChI
InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
Names and Synonyms
- Methyldicyclohexylamine Common Name
- Cyclohexanamine, N-cyclohexyl-N-methyl- Synonym
- Dicyclohexylamine, N-methyl- Synonym
- N-Cyclohexyl-N-methylcyclohexanamine Synonym
- N-Methyldicyclohexylamine Synonym
- N,N-Dicyclohexylmethylamine Synonym
- Methyldicyclohexylamine Synonym
- NSC 133262 Synonym
- NSC 166513 Synonym
- Dicyclohexyl(methyl)amine Synonym
- N,N-Dicyclohexyl-N-methylamine Synonym
- PC 12 Synonym
- D 0820 Synonym
- N,N′-Dicyclohexylmethylamine Synonym
- PC CAT NP 112 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.35 g/mol | CAS Common Chemistry |
| 195.34999999999994 g/mol | RDKit | |
| Boiling Point | 265 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C1CCCCC1)C2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GSCCALZHGUWNJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 193-194 °C | CAS Common Chemistry |
| Name | Methyldicyclohexylamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 3.5836000000000023 | RDKit |
| 3.5836 | RDKit | |
| Molar Refractivity | 61.50900000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 195.19869979999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 195.35 g/mol. Edit any field — others recompute live.
