21898-19-1

The Clenbuterol hydrochloride, with the CAS registry number 21898-19-1, is also known as N-[2-(4-Amino-3,5-dichlorophenyl)-2-hydroxyethyl]-2-methyl-2-propanaminium chloride. It belongs to the product categories of Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor; Amines; Aromatics. Its EINECS registry number is 244-643-7. This chemical's molecular formula is C₁₂H₁₉Cl₃N₂O and molecular weight is 313.65. What's more, its IUPAC name is called 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride. It should be stored in a cool, dry and well-ventilated place. Clenbuterol hydrochloride is for the prevention and treatment of bronchial asthma, chronic bronchitis and emphysema with bronchitis, bronchitis caused by spasm.

Physical properties about Clenbuterol hydrochloride are: (1)ACD/LogP: 2.612; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 16.94; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å²; (13)Flash Point: 198.7 °C; (14)Enthalpy of Vaporization: 69.22 kJ/mol; (15)Boiling Point: 404.9 °C at 760 mmHg; (16)Vapour Pressure: 2.77E-07 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical cause damage to health at low levels. It is toxic if swallowed. The gas can not be breathed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell you should seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].Clc1cc(cc(Cl)c1N)C(O)C[NH2+]C(C)(C)C
(2) InChI: InChI=1S/C12H18Cl2N2O.ClH/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;1H
(3) InChIKey: OPXKTCUYRHXSBK-UHFFFAOYSA-N

The toxicity data is as follows: