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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
Names and Synonyms:
Orphenadrine Hydrochloride
Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-, hydrochloride (1:1)
Ethylamine, N,N-dimethyl-2-[(o-methyl-α-phenylbenzyl)oxy]-, hydrochloride
Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-, hydrochloride
Brocasipal
2-(Dimethylamino)ethyl 2-methylbenzhydryl ether hydrochloride
N,N-Dimethyl-2-(o-methyl-α-phenylbenzyloxy)ethylamine hydrochloride
Disipal hydrochloride
Mephenamine hydrochloride
Mephenamin hydrochloride
Orphenadrine hydrochloride
Disipal
Mephenamine
Mebedrol
Mefenamin hydrochloride
Orfenadrin hydrochloride
Mephenamin
(±)-Orphenadrine hydrochloride
NSC 82357
Identifiers:
SMILES:
Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl
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
Key Properties
Boiling Point
-195 °C
CAS Common Chemistry
Melting Point
156-157 °C
CAS Common Chemistry
Density
0.30 g/cm³
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 | 305.85 g/mol | CAS Common Chemistry |
| 305.849 g/mol | RDKit | |
| 305.154642068 g/mol | RDKit | |
| 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 |
| LogP | 4.084420000000004 | RDKit |
| Molar Refractivity | 91.21800000000006 | RDKit |
