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Benzeneethanamine, N,N-Dimethyl-, Hydrochloride (1:1)
CAS: 10275-21-5 | C10H16ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10275-21-5
Molecular Formula:
C10H16ClN
Molecular Mass:
185.70 g/mol
Names and Synonyms:
Benzeneethanamine, N,N-Dimethyl-, Hydrochloride (1:1)
Benzeneethanamine, N,N-dimethyl-, hydrochloride (1:1)
Phenethylamine, N,N-dimethyl-, hydrochloride
Benzeneethanamine, N,N-dimethyl-, hydrochloride
N,N-Dimethylphenethylamine hydrochloride
N,N-Dimethylphenylethylamine hydrochloride
AF 2975
Identifiers:
SMILES:
CN(C)CCc1ccccc1.Cl
InChI:
InChI=1S/C10H15N.ClH/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
Key Properties
Melting Point
200-201.5 °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 | 185.70 g/mol | CAS Common Chemistry |
| 185.698 g/mol | RDKit | |
| 185.097127192 g/mol | RDKit | |
| 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 |
| LogP | 2.212500000000001 | RDKit |
| Molar Refractivity | 55.94800000000004 | RDKit |
