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Chlophedianol Hydrochloride
CAS: 511-13-7 | C17H21Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
511-13-7
Molecular Formula:
C17H21Cl2NO
Molecular Mass:
326.27 g/mol
Names and Synonyms:
Chlophedianol Hydrochloride
Benzenemethanol, 2-chloro-α-[2-(dimethylamino)ethyl]-α-phenyl-, hydrochloride (1:1)
Benzhydrol, 2-chloro-α-[2-(dimethylamino)ethyl]-, hydrochloride
Benzenemethanol, 2-chloro-α-[2-(dimethylamino)ethyl]-α-phenyl-, hydrochloride
SL 501
Chlophedianol hydrochloride
2-Chloro-α-[2-(dimethylamino)ethyl]benzhydrol hydrochloride
1-o-Chlorophenyl-1-phenyl-3-dimethylamino-1-propanol hydrochloride
α-(2-Dimethylaminoethyl)-o-chlorobenzhydrol hydrochloride
ULO
SK 74
Clofedanol hydrochloride
Detigon
Ulone
Refugal
Pectolitan
Coldrin
1-(2-Chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol hydrochloride
Identifiers:
SMILES:
CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl.Cl
InChI:
InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H
Key Properties
Melting Point
190-191 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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 |
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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 | 326.27 g/mol | CAS Common Chemistry |
| 326.267 g/mol | RDKit | |
| 325.100019652 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC=1C=CC=CC1C(O)(C=2C=CC=CC2)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XYGSFNHCFFAJPO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190-191 °C | CAS Common Chemistry |
| Name | Chlophedianol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 3.949400000000004 | RDKit |
| Molar Refractivity | 91.31180000000005 | RDKit |
