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Molecule
Amantadine Hydrochloride
CAS: 665-66-7 · C10H18ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 665-66-7
- Molecular Formula
- C10H18ClN
- Molecular Mass
- 187.71 g/mol
Identifiers
CAS Registry Number
665-66-7
SMILES
Cl.NC12CC3CC(CC(C3)C1)C2
InChI Key
WOLHOYHSEKDWQH-UHFFFAOYSA-N
InChI
InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H
Names and Synonyms
- Amantadine Hydrochloride Synonym
- Tricyclo[3.3.1.13,7]decan-1-amine, hydrochloride (1:1) Synonym
- 1-Adamantanamine, hydrochloride Synonym
- Tricyclo[3.3.1.13,7]decan-1-amine, hydrochloride Synonym
- Adamantanamine hydrochloride Synonym
- EXP 105-1 Synonym
- NSC 83653 Synonym
- Symmetrel Synonym
- Aminoadamantane hydrochloride Synonym
- Mydantane Synonym
- Midantane Synonym
- 1-Aminoadamantane hydrochloride Synonym
- 1-Adamantylamine hydrochloride Synonym
- Adamantylamine hydrochloride Synonym
- 1-Adamantamine hydrochloride Synonym
- Amantadine hydrochloride Synonym
- Virasol Synonym
- Symadine Synonym
- Amazolon Synonym
- Mantadine Synonym
- Virofral Synonym
- Mantadan Synonym
- Midantan Synonym
- Mantadix Synonym
- Adamin Synonym
- Adamine Synonym
- ADS 5102 Synonym
- Gocovri Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.71 g/mol | CAS Common Chemistry |
| 187.71399999999994 g/mol | RDKit | |
| 187.714 g/mol | RDKit | |
| 187.711 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC12CC3CC(CC(C3)C1)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=WOLHOYHSEKDWQH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 359-360 °C | CAS Common Chemistry |
| Name | Amantadine 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 | 2.3357 | RDKit |
| Molar Refractivity | 52.33840000000003 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...
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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.
