37148-27-9

The Clenbuterol, with the CAS registry number 37148-27-9, is also known as 1-(4-Amino-3,5-dichlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS registry number is 253-366-0. This chemical's molecular formula is C₁₂H₁₈Cl₂N₂O and molecular weight is 277.19. What's more, its IUPAC name is called 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol. It should be stored in a cool, dry and well-ventilated place. Clenbuterol, marketed as Spiropent and Ventipulmin, is a sympathomimetic amine used by sufferers of breathing disorders as a decongestant and bronchodilator. People with chronic breathing disorders such as asthma use this as a bronchodilator to make breathing easier. It is most commonly available as the hydrochloride salt, clenbuterol hydrochloride.

Physical properties about Clenbuterol are: (1)ACD/LogP: 2.634; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 5.73; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 58.28 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 73.458 cm³; (15)Molar Volume: 221.578 cm³; (16)Polarizability: 29.121×10^-24 cm³; (17)Surface Tension: 46.632 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 198.689 °C; (20) Enthalpy of Vaporization: 69.22 kJ/mol ; (21)Boiling Point: 404.921 °C at 760 mmHg ; (22) Vapour Pressure: 0 mmHg at 25 °C.

Uses of Clenbuterol: it is used to produce other chemicals. For example, it can produce 2-tert-butylamino-1-(3,5-dichloro-4-nitro-phenyl)-ethanol and 2-tert-butylamino-1-(3,5-dichloro-4-nitroso-phenyl)-ethanol. This reaction needs reagent peracetic acid and solvent methanol at temperature of 20 °C. The reaction time is 18 hours. The yield is 55 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cc(Cl)c1N)C(O)CNC(C)(C)C
(2) InChI: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
(3) InChIKey: STJMRWALKKWQGH-UHFFFAOYSA-N

The toxicity data is as follows: