Cinchonan-9-ol,monohydrochloride, (9S)- (9CI) (5949-11-1)

The Cinchonine hydrochloride, with the cas registry number 5949-11-1 and EINECS registry number 246-139-2, has the systematic name of cinchonan-9-ol hydrochloride. It belongs to the following product categories: Alkaloids; Biochemistry; for Resolution of Acids; Optical Resolution; Quinoline Alkaloids; Quinolinecarboxylic Acids, etc.; Quinolines; Synthetic Organic Chemistry. And the molecular formula of the chemical is C₁₉H₂₂N₂O^.HCl.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.66; (7)ACD/KOC (pH 5.5): 1.31; (8)ACD/KOC (pH 7.4): 20.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 25.36 Å² ; (13)Flash Point: 234.7 °C; (14)Enthalpy of Vaporization: 76.48 kJ/mol; (15)Boiling Point: 464.5 °C at 760 mmHg; (16)Vapour Pressure: 1.99E-09 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.n2c1c(cccc1)c(cc2)C(O)C3N4CCC(C3)C(/C=C)C4
(2)InChI: InChI=1/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H
(3)InChIKey: IMUHWLVEEVGMBC-UHFFFAOYAA

The toxicity data is as follows: