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Cinchonine hydrochloride

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Name

Cinchonine hydrochloride

EINECS 246-139-2
CAS No. 5949-11-1 Density N/A
PSA 36.36000 LogP 3.90450
Solubility N/A Melting Point 208-218 °C
Formula C19H22N2O.HCl Boiling Point 464.5 °C at 760 mmHg
Molecular Weight 330.85 Flash Point 234.7 °C
Transport Information N/A Appearance N/A
Safety 36/37-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 5949-11-1 (CINCHONINE HYDROCHLORIDE) Hazard Symbols IrritantXiHarmfulXn
Synonyms

Cinchonine,monohydrochloride (8CI);(+)-Cinchonine hydrochloride;Cinchoninehydrochloride;Cinchonium hydrochloride;D-(+)-Cinchonine hydrochloride;NSC215195;

 

Cinchonine hydrochloride Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 200mg/kg (200mg/kg)   Cancer Research. Vol. 52, Pg. 2797, 1992.
mouse LD50 oral 720mg/kg (720mg/kg)   French Demande Patent Document. Vol. #2550093,
rat LD intraperitoneal > 150mg/kg (150mg/kg)   Cancer Research. Vol. 52, Pg. 2797, 1992.

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