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Mecamylamine Hydrochloride
CAS: 826-39-1 | C11H22ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
826-39-1
Molecular Formula:
C11H22ClN
Molecular Mass:
203.76 g/mol
Names and Synonyms:
Mecamylamine Hydrochloride
Bicyclo[2.2.1]heptan-2-amine, N,2,3,3-tetramethyl-, hydrochloride (1:1)
2-Norbornanamine, N,2,3,3-tetramethyl-, hydrochloride
Bicyclo[2.2.1]heptan-2-amine, N,2,3,3-tetramethyl-, hydrochloride
Mecamylamine hydrochloride
N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride
Inversine
Mevasin
Mecamylamine chloride
Mevasine
CPDD 0059
Identifiers:
SMILES:
CNC1(C)C2CCC(C2)C1(C)C.Cl
InChI:
InChI=1S/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H
Key Properties
Melting Point
243-246 °C (decomp)
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 | 203.76 g/mol | CAS Common Chemistry |
| 203.757 g/mol | RDKit | |
| 203.14407738399998 g/mol | RDKit | |
| Canonical SMILES | Cl.N(C)C1(C)C2CCC(C2)C1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=PKVZBNCYEICAQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 243-246 °C (decomp) | CAS Common Chemistry |
| Name | Mecamylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.842400000000002 | RDKit |
| Molar Refractivity | 59.32470000000004 | RDKit |
