Cinchonan-9-ol, hydrochloride, (8alpha,9R)- supplier

Name
cinchonidine hydrochloride
EINECS 277-773-8
CAS No. 74220-37-4
Density
Solubility
Melting Point
Formula C₁₉H₂₃ClN₂O
Boiling Point 489.4 °C at 760 mmHg
Molecular Weight 330.85
Flash Point 249.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinchonidine hydrochloride;Cinchonidine monohydrochloride;Cinchonidine HCl;
PSA 36.36000
LogP 3.90450

Cinchonan-9-ol, hydrochloride, (8alpha,9R)- Specification

The Cinchonan-9-ol, hydrochloride, (8alpha,9R)- with CAS registry number of 74220-37-4 is also known as Cinchonidine monohydrochloride. The IUPAC name is (S)-[(4R,5S)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol hydrochloride. Its EINECS registry number is 277-773-8. In addition, the formula is C₁₉H₂₃ClN₂O and the molecular weight is 330.85.

Physical properties about Cinchonan-9-ol, hydrochloride, (8alpha,9R)- are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 36.36Å²; (7)Flash Point: 249.8 °C; (8)Enthalpy of Vaporization: 79.59 kJ/mol; (9)Boiling Point: 489.4 °C at 760 mmHg; (10)Vapour Pressure: 2.16E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Cl.O[C@H](c2ccnc1ccccc12)[C@@H]4C[C@@H]3CC[N@]4C[C@@H]3C=C
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/t13-,14-,18-,19+;/m0./s1
3. InChIKey: IMUHWLVEEVGMBC-YYXOUSRLBK
4. Std. InChI: InChI=1S/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/t13-,14-,18-,19+;/m0./s1
5. Std. InChIKey: IMUHWLVEEVGMBC-YYXOUSRLSA-N

Product Name

cinchonidine hydrochloride

Cinchonan-9-ol, hydrochloride, (8alpha,9R)- Specification

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