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Molecule
Orphenadrine Hydrochloride
CAS: 341-69-5 · C18H24ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 341-69-5
- Molecular Formula
- C18H24ClNO
- Molecular Mass
- 305.85 g/mol
Identifiers
CAS Registry Number
341-69-5
SMILES
Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl
InChI Key
UQZKYYIKWZOKKD-UHFFFAOYSA-N
InChI
InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H
Names and Synonyms
- Orphenadrine Hydrochloride Synonym
- Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-, hydrochloride (1:1) Synonym
- Ethylamine, N,N-dimethyl-2-[(o-methyl-α-phenylbenzyl)oxy]-, hydrochloride Synonym
- Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-, hydrochloride Synonym
- Brocasipal Synonym
- 2-(Dimethylamino)ethyl 2-methylbenzhydryl ether hydrochloride Synonym
- N,N-Dimethyl-2-(o-methyl-α-phenylbenzyloxy)ethylamine hydrochloride Synonym
- Disipal hydrochloride Synonym
- Mephenamine hydrochloride Synonym
- Mephenamin hydrochloride Synonym
- Orphenadrine hydrochloride Synonym
- Disipal Synonym
- Mephenamine Synonym
- Mebedrol Synonym
- Mefenamin hydrochloride Synonym
- Orfenadrin hydrochloride Synonym
- Mephenamin Synonym
- (±)-Orphenadrine hydrochloride Synonym
- NSC 82357 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.85 g/mol | CAS Common Chemistry |
| 305.849 g/mol | RDKit | |
| 305.846 g/mol | chempirical lib | |
| Density | 0.30 g/cm³ | CAS Common Chemistry |
| 0.295 g/cm3 | CAS Common Chemistry | |
| Boiling Point | -195 °C | CAS Common Chemistry |
| Canonical SMILES | Cl.O(CCN(C)C)C(C=1C=CC=CC1)C=2C=CC=CC2C | CAS Common Chemistry |
| InChI | InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=UQZKYYIKWZOKKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 156-157 °C | CAS Common Chemistry |
| Name | Orphenadrine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| 12.24 Ų | chempirical lib | |
| LogP | 4.084420000000004 | RDKit |
| 4.0844 | RDKit | |
| Molar Refractivity | 91.21800000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 305.154642068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 305.85 g/mol; density = 0.300 g/mL. Edit any field — others recompute live.
