(-)-N-Methylephedrine supplier

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Name
(-)-N-Methylephedrine
EINECS 209-022-7
CAS No. 552-79-4
Article Data42
CAS DataBase
Density 1.009 g/cm³
Solubility freely soluble in water, ethanol, glacial acetic acid, slightly soluble in acetone
Melting Point 86-88 °C(lit.)
Formula C₁₁H₁₇NO
Boiling Point 251.3 °C at 760 mmHg
Molecular Weight 179.262
Flash Point 96.9 °C
Transport Information UN 1544 6.1/PG 3
Appearance White crystals or adhering crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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)-;
PSA 23.47000
LogP 1.67010

(-)-N-Methylephedrine 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

Product Name

(-)-N-Methylephedrine

(-)-N-Methylephedrine Specification

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