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Molecule
Trans-4-Aminocyclohexanol Hydrochloride
CAS: 50910-54-8 · C6H14ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 50910-54-8
- Molecular Formula
- C6H14ClNO
- Molecular Mass
- 151.64 g/mol
Identifiers
CAS Registry Number
50910-54-8
SMILES
Cl.N[C@H]1CC[C@H](O)CC1
InChI Key
RKTQEVMZBCBOSB-KYOXOEKENA-N
InChI
InChI=1/C6H13NO.ClH/c7-5-1-3-6(8)4-2-5;/h5-6,8H,1-4,7H2;1H/t5-,6-;
Names and Synonyms
- Trans-4-Aminocyclohexanol Hydrochloride Synonym
- Cyclohexanol, 4-amino-, hydrochloride (1:1), trans- Synonym
- Cyclohexanol, 4-amino-, hydrochloride, trans- Synonym
- trans-4-Aminocyclohexanol hydrochloride Synonym
- trans-4-Hydroxycyclohexylamine hydrochloride Synonym
- trans-4-Amino-1-cyclohexanol hydrochloride Synonym
- trans-4-Aminocyclohexanol monohydrochloride Synonym
- trans-1-Amino-4-hydroxycyclohexane hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.64 g/mol | CAS Common Chemistry |
| 151.63699999999997 g/mol | RDKit | |
| 151.637 g/mol | RDKit | |
| 151.634 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1CCC(N)CC1 | CAS Common Chemistry |
| InChI | InChI=1/C6H13NO.ClH/c7-5-1-3-6(8)4-2-5;/h5-6,8H,1-4,7H2;1H/t5-,6-; | CAS Common Chemistry |
| InChI Key | InChIKey=RKTQEVMZBCBOSB-KYOXOEKENA-N | CAS Common Chemistry |
| Name | trans-4-Aminocyclohexanol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 0.6704 | RDKit |
| Molar Refractivity | 39.69820000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.076391748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 151.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14ClNO.
