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Molecule
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
Identifiers
CAS Registry Number
826-39-1
SMILES
CNC1(C)C2CCC(C2)C1(C)C.Cl
InChI Key
PKVZBNCYEICAQP-UHFFFAOYSA-N
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
Names and Synonyms
- Mecamylamine Hydrochloride Synonym
- Bicyclo[2.2.1]heptan-2-amine, N,2,3,3-tetramethyl-, hydrochloride (1:1) Synonym
- 2-Norbornanamine, N,2,3,3-tetramethyl-, hydrochloride Synonym
- Bicyclo[2.2.1]heptan-2-amine, N,2,3,3-tetramethyl-, hydrochloride Synonym
- Mecamylamine hydrochloride Synonym
- N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride Synonym
- Inversine Synonym
- Mevasin Synonym
- Mecamylamine chloride Synonym
- Mevasine Synonym
- CPDD 0059 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.76 g/mol | CAS Common Chemistry |
| 203.757 g/mol | RDKit | |
| 203.754 g/mol | chempirical lib | |
| 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 |
| 2.8424 | RDKit | |
| Molar Refractivity | 59.32470000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 203.14407738399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
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MW = 203.76 g/mol. Edit any field — others recompute live.
