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| CAS No.: | 552-79-4 |
|---|---|
| Name: | (-)-N-Methylephedrine |
| Article Data: | 42 |
| Molecular Structure: | |
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| Formula: | C11H17NO |
| Molecular Weight: | 179.262 |
| Synonyms: | Benzenemethanol,a-[1-(dimethylamino)ethyl]-,[R-(R*,S*)]-;Ephedrine, N-methyl-, L- (3CI);(-)-Methylephedrine;(1R,2S)-(-)-N-Methylephedrine;(1R,2S)-2-Dimethylamino-1-phenyl-1-propanol;(1R,2S)-2-Dimethylamino-1-phenylpropanol;(1R,2S)-3-Dimethylamino-1-phenyl-1-propanol;(1R,2S)-Methylephedrine;(1R,2S)-N-Methylephedrin;(1R,2S)-N-Methylephedrine;L-N-Methylephedrine;Methylephedrine;N-Methyl-L-ephedrine;N-Methylephedrine;Benzenemethanol, alpha-((1S)-1-(dimethylamino)ethyl)-, (alphaR)-; |
| EINECS: | 209-022-7 |
| Density: | 1.009 g/cm3 |
| Melting Point: | 86-88 °C(lit.) |
| Boiling Point: | 251.3 °C at 760 mmHg |
| Flash Point: | 96.9 °C |
| Solubility: | freely soluble in water, ethanol, glacial acetic acid, slightly soluble in acetone |
| Appearance: | White crystals or adhering crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 1544 6.1/PG 3 |
| PSA: | 23.47000 |
| LogP: | 1.67010 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The (-)-N-Methylephedrine, with the CAS registry number 552-79-4, is also known as (aR)-a-[(1S)-1-(Dimethylamino)ethyl]benzenemethanol. It belongs to the product category of Pharmaceutical Raw Materials. Its EINECS number is 209-022-7. This chemical's molecular formula is C11H17NO and molecular weight is 179.26. What's more, its systematic name is (1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol. It should be stored in a refrigerator with the temperature of 4 °C. It has the function of antianaphylaxis and preventing cough. It is suitable for the cure of influenza and bronchial panting.
Physical properties of (-)-N-Methylephedrine are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 54.91 cm3; (15)Molar Volume: 177.6 cm3; (16)Polarizability: 21.77×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.009 g/cm3; (19)Flash Point: 96.9 °C; (20)Enthalpy of Vaporization: 51.62 kJ/mol; (21)Boiling Point: 251.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0108 mmHg at 25°C.
Preparation: this chemical can be prepared by evaporating and concentrating pseudoephedrine, and then cooling naturally. After several steps, such as decoloration, removing impurities and adjusting the pH value, methylephedrine hydrochloride is got.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](c1ccccc1)[C@@H](N(C)C)C
(2)Std. InChI: InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1
(3)Std. InChIKey: FMCGSUUBYTWNDP-ONGXEEELSA-N