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Molecule
Cyclohexylamine
CAS: 108-91-8 · C6H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108-91-8
- Molecular Formula
- C6H13N
- Molecular Mass
- 99.18 g/mol
Identifiers
CAS Registry Number
108-91-8
SMILES
NC1CCCCC1
InChI Key
PAFZNILMFXTMIY-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
Names and Synonyms
- Cyclohexylamine Synonym
- Cyclohexanamine Synonym
- Cyclohexylamine Synonym
- Aminocyclohexane Synonym
- Aminohexahydrobenzene Synonym
- Hexahydroaniline Synonym
- Benzenamine, hexahydro- Synonym
- 1-Aminocyclohexane Synonym
- 1-Cyclohexylamine Synonym
- Monocyclohexylamine Synonym
- HY Synonym
- Biodur E 1 Synonym
- N-Cyclohexylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.18 g/mol | CAS Common Chemistry |
| 99.177 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8647 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclohexylamine | CAS Common Chemistry |
| Canonical SMILES | NC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PAFZNILMFXTMIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -17.7 °C | CAS Common Chemistry |
| Name | Cyclohexylamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.2778 | RDKit |
| Molar Refractivity | 31.06039999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 99.10479941599999 g/mol | RDKit |
| Boiling Point | 134.5 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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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Quick conversion
MW = 99.18 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13N.
