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Molecule
Benzeneethanamine, N,N-Dimethyl-, Hydrochloride (1:1)
CAS: 10275-21-5 · C10H16ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10275-21-5
- Molecular Formula
- C10H16ClN
- Molecular Mass
- 185.70 g/mol
Identifiers
CAS Registry Number
10275-21-5
SMILES
CN(C)CCc1ccccc1.Cl
InChI Key
OVBRYLBVLSAOAS-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N.ClH/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
Names and Synonyms
- Benzeneethanamine, N,N-Dimethyl-, Hydrochloride (1:1) Systematic Name
- Benzeneethanamine, N,N-dimethyl-, hydrochloride (1:1) Synonym
- Phenethylamine, N,N-dimethyl-, hydrochloride Synonym
- Benzeneethanamine, N,N-dimethyl-, hydrochloride Synonym
- N,N-Dimethylphenethylamine hydrochloride Synonym
- N,N-Dimethylphenylethylamine hydrochloride Synonym
- AF 2975 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)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N.ClH/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=OVBRYLBVLSAOAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200-201.5 °C | CAS Common Chemistry |
| Name | Benzeneethanamine, N,N-dimethyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.212500000000001 | RDKit |
| 2.2125 | RDKit | |
| Molar Refractivity | 55.94800000000004 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
