Back to Search
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
Names and Synonyms:
Rimantadine Hydrochloride
Tricyclo[3.3.1.13,7]decane-1-methanamine, α-methyl-, hydrochloride (1:1)
1-Adamantanemethylamine, α-methyl-, hydrochloride
Tricyclo[3.3.1.13,7]decane-1-methanamine, α-methyl-, hydrochloride
EXP 126
α-Methyl-1-adamantanemethylamine hydrochloride
Rimantadine hydrochloride
1-(1-Aminoethyl)adamantane hydrochloride
Remantadine
Meradan
Meradane
JP 61
Remantadin
Flumadine
Roflual
NSC 206764
1-(1-Adamantyl)ethylamine hydrochloride
1-(Adamantan-1-yl)ethan-1-amine hydrochloride
Identifiers:
SMILES:
CC(N)C12CC3CC(CC(C3)C1)C2.Cl
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
Key Properties
Melting Point
373-375 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.77 g/mol | CAS Common Chemistry |
| 215.76799999999997 g/mol | RDKit | |
| 215.14407738399998 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 61.502400000000044 | RDKit |
