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Molecule
Benzeneethanamine, N,Α-Dimethyl-, Hydrochloride (1:1)
CAS: 300-42-5 · C10H16ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 300-42-5
- Molecular Formula
- C10H16ClN
- Molecular Mass
- 185.70 g/mol
Identifiers
CAS Registry Number
300-42-5
SMILES
CNC(C)Cc1ccccc1.Cl
InChI Key
TWXDDNPPQUTEOV-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H
Names and Synonyms
- Benzeneethanamine, N,Α-Dimethyl-, Hydrochloride (1:1) Synonym
- Benzeneethanamine, N,α-dimethyl-, hydrochloride (1:1) Synonym
- Phenethylamine, N,α-dimethyl-, hydrochloride Synonym
- Benzeneethanamine, N,α-dimethyl-, hydrochloride Synonym
- N,α-Dimethylphenethylamine hydrochloride Synonym
- 2-Methylamino-1-phenylpropane hydrochloride Synonym
- Obesin Synonym
- Obesine Synonym
- dl-Desoxyephedrine hydrochloride Synonym
- dl-Methamphetamine hydrochloride Synonym
- (±)-Methamphetamine hydrochloride Synonym
- (±)-N-Methylamphetamine hydrochloride Synonym
- NSC 169506 Synonym
- NSC 22367 Synonym
- (±)-Methylamphetamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 185.70 g/mol | CAS Common Chemistry |
| 185.698 g/mol | RDKit | |
| 185.695 g/mol | chempirical lib | |
| Canonical SMILES | Cl.C=1C=CC(=CC1)CC(NC)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=TWXDDNPPQUTEOV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133-135 °C | CAS Common Chemistry |
| Name | Benzeneethanamine, N,α-dimethyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.2588000000000004 | RDKit |
| 2.2588 | RDKit | |
| Molar Refractivity | 55.91570000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 185.097127192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 185.70 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16ClN.
