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Molecule
Rimantadine Hydrochloride
CAS: 1501-84-4 · C12H22ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1501-84-4
- Molecular Formula
- C12H22ClN
- Molecular Mass
- 215.77 g/mol
Identifiers
CAS Registry Number
1501-84-4
SMILES
CC(N)C12CC3CC(CC(C3)C1)C2.Cl
InChI Key
OZBDFBJXRJWNAV-UHFFFAOYSA-N
InChI
InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H
Names and Synonyms
- Rimantadine Hydrochloride Common Name
- Tricyclo[3.3.1.13,7]decane-1-methanamine, α-methyl-, hydrochloride (1:1) Synonym
- 1-Adamantanemethylamine, α-methyl-, hydrochloride Synonym
- Tricyclo[3.3.1.13,7]decane-1-methanamine, α-methyl-, hydrochloride Synonym
- EXP 126 Synonym
- α-Methyl-1-adamantanemethylamine hydrochloride Synonym
- Rimantadine hydrochloride Synonym
- 1-(1-Aminoethyl)adamantane hydrochloride Synonym
- Remantadine Synonym
- Meradan Synonym
- Meradane Synonym
- JP 61 Synonym
- Remantadin Synonym
- Flumadine Synonym
- Roflual Synonym
- NSC 206764 Synonym
- 1-(1-Adamantyl)ethylamine hydrochloride Synonym
- 1-(Adamantan-1-yl)ethan-1-amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.77 g/mol | CAS Common Chemistry |
| 215.76799999999997 g/mol | RDKit | |
| 215.768 g/mol | RDKit | |
| 215.765 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC(C)C12CC3CC(CC(C3)C1)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=OZBDFBJXRJWNAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 373-375 °C | CAS Common Chemistry |
| Name | Rimantadine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.971800000000002 | RDKit |
| 2.9718 | RDKit | |
| Molar Refractivity | 61.502400000000044 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 215.14407738399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 215.77 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H22ClN.
