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Molecule
Cyclohexylamine, Hydrochloride
CAS: 4998-76-9 · C6H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4998-76-9
- Molecular Formula
- C6H14ClN
- Molecular Mass
- 135.64 g/mol
Identifiers
CAS Registry Number
4998-76-9
SMILES
Cl.NC1CCCCC1
InChI Key
ZJUGSKJHHWASAF-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H
Names and Synonyms
- Cyclohexylamine, Hydrochloride Systematic Name
- Cyclohexanamine, hydrochloride (1:1) Synonym
- Cyclohexylamine, hydrochloride Synonym
- Cyclohexanamine, hydrochloride Synonym
- Cyclohexylammonium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.64 g/mol | CAS Common Chemistry |
| 135.638 g/mol | RDKit | |
| 135.635 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13N.ClH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZJUGSKJHHWASAF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 204-205 °C | CAS Common Chemistry |
| Name | Cyclohexylamine, hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.6996 | RDKit |
| Molar Refractivity | 38.308400000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 135.081477128 g/mol | RDKit |
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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140
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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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MW = 135.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14ClN.
