Isoprenaline sulphate (299-95-6)

The Isoprenaline sulphate with the cas number 299-95-6,is also called 1,2-benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, sulfate (2:1).The product can be supplied by the following suppliers: (1)A Meryer Chemical Technology Shanghai Company; (2)TCI (Shanghai) Development Co., Ltd. ; (3)Energy Chemical ; (4)Jibang Technology Limited; (5)NINGBO YUANFANG BIOCHEMICALS CO.,LTD..

The properties of the chemical are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.77; (4)ACD/LogD (pH 7.4): -1.6; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 30.93 Å²; (13)Enthalpy of Vaporization: 70.73 kJ/mol; (14)Vapour Pressure: 1.02E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.Oc1ccc(cc1O)C(O)CNC(C)C.OC(c1cc(O)c(O)cc1)CNC(C)C
(2)InChI: InChI=1/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)