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Molecule
2-Adamantanamine, Hydrochloride
CAS: 10523-68-9 · C10H18ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10523-68-9
- Molecular Formula
- C10H18ClN
- Molecular Mass
- 187.71 g/mol
Identifiers
CAS Registry Number
10523-68-9
SMILES
Cl.NC1C2CC3CC(C2)CC1C3
InChI Key
WLDWDRZITJEWRJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H
Names and Synonyms
- 2-Adamantanamine, Hydrochloride Synonym
- Tricyclo[3.3.1.13,7]decan-2-amine, hydrochloride (1:1) Synonym
- 2-Adamantanamine, hydrochloride Synonym
- Tricyclo[3.3.1.13,7]decan-2-amine, hydrochloride Synonym
- 2-Aminoadamantane hydrochloride Synonym
- 2-Adamantylamine hydrochloride Synonym
- 2-Adamantaneammonium chloride Synonym
- 2-Adamantamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.71 g/mol | CAS Common Chemistry |
| 187.71399999999997 g/mol | RDKit | |
| 187.714 g/mol | RDKit | |
| 187.711 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC1C2CC3CC(C2)CC1C3 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17N.ClH/c11-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10H,1-5,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=WLDWDRZITJEWRJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 300-325 °C | CAS Common Chemistry |
| Name | 2-Adamantanamine, hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 2.1916 | RDKit |
| Molar Refractivity | 52.268400000000035 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 187.112777256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 187.71 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18ClN.
