90-82-4

The Pseudoephedrine, with the CAS registry number 90-82-4, is also known as Benzenemethanol, α-[(1S)-1-(methylamino)ethyl]-, (αS)-. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Isotope Labelled Compounds; Pharmaceuticals; Sulfur & Selenium Compounds. Its EINECS number is 202-018-6. This chemical's molecular formula is C₁₀H₁₅NO and molecular weight is 165.23. What's more, its systematic name is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol. Its classification codes are: (1)Anti-Asthmatic Agents; (2)Autonomic Agents; (3)Bronchodilator Agents; (4)Cardiovascular Agents; (5)Drug / Therapeutic Agent; (6)Human Data; (7)Nasal Decongestants; (8)Peripheral Nervous System Agents; (9)Respiratory System Agents; (10)Vasoconstrictor Agents. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light. It is a phenethylamine that is an isomer of ephedrine which has less central nervous system effects and usage is mainly for respiratory tract decongestion. It is also used in biochemical research.

Physical properties of Pseudoephedrine are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -0.96; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 50.15 cm³; (15)Molar Volume: 162.7 cm³; (16)Polarizability: 19.88×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.015 g/cm³; (19)Flash Point: 85.6 °C; (20)Enthalpy of Vaporization: 52.03 kJ/mol; (21)Boiling Point: 255 °C at 760 mmHg; (22)Vapour Pressure: 0.00865 mmHg at 25°C.

Preparation: this chemical can be prepared by  (1S,2S)-N,N-Dimethyl-N'-[(2-hydroxy-2-phenyl)-1-methylethyl]-harnstoff at the temperature of 55 °C. This reaction will need reagent LiAlH₄ and solvent diethyl ether with the reaction time of 2 hours. The yield is about 90%.

Uses of Pseudoephedrine: it can be used to produce 2-(3,4-dimethyl-5-phenyl-oxazolidin-2-yl)-phenol at the temperature of 50 °C. It will need reagent MgSO₄ and solvent methanol with the reaction time of 1 hour. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. 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 and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](c1ccccc1)[C@@H](NC)C
(2)Std. InChI: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
(3)Std. InChIKey: KWGRBVOPPLSCSI-WCBMZHEXSA-N

The toxicity data is as follows: