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485-65-4

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Basic Information
CAS No.: 485-65-4
Name: HYDROCINCHONINE
Article Data: 20
Molecular Structure:
Molecular Structure of 485-65-4 (HYDROCINCHONINE)
Formula: C19H24N2O
Molecular Weight: 296.412
Synonyms: Hydrocinchonine(6CI,7CI,8CI);(+)-Dihydrocinchonine;(+)-Hydrocinchonine;10,11-Dihydrocinchonine;Cinchonifin;Cinchonifine;Cinchotin;Cinchotine;Dihydrocinchonine;Hydrocinchonin;Pseudocinchonin;Pseudocinchonine;Oprea1_425428;
EINECS: 207-621-8
Density: 1.18 g/cm3
Melting Point: 269-272 °C
Boiling Point: 467.126 °C at 760 mmHg
Flash Point: 236.309 °C
Solubility: 768.6mg/L(25 oC)
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 36/37
PSA: 36.36000
LogP: 3.32650
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Specification

The Cinchonan-9-ol,10,11-dihydro-, (9S)- with CAS registry number of 485-65-4 is also known as Hydrocinchonine(6CI,7CI,8CI). The IUPAC name is (5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol. Its EINECS registry number is 207-621-8. In addition, the formula is C19H24N2O and the molecular weight is 296.41. This chemical is stable at normal temperature and pressure, and it should be sealed in ventilated and dry place.

Physical properties about Cinchonan-9-ol,10,11-dihydro-, (9S)- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.36Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 89.655 cm3; (15)Molar Volume: 249.251 cm3; (16)Polarizability: 35.542×10-24cm3; (17)Surface Tension: 55.715 dyne/cm; (18)Density: 1.189 g/cm3; (19)Flash Point: 236.309 °C; (20)Enthalpy of Vaporization: 76.81 kJ/mol; (21)Boiling Point: 467.126 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
1. SMILES: n2c1c(cccc1)c(cc2)[C@H](O)[C@@H]3N4CC[C@@H](C3)[C@@H](CC)C4
2. InChI: InChI=1/C19H24N2O/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/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3/t13-,14-,18+,19-/m0/s
3. InChIKey: WFJNHVWTKZUUTR-QAMTZSDWBA
4. Std. InChI: InChI=1S/C19H24N2O/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/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3/t13-,14-,18+,19-/m0/s1
5. Std. InChIKey: WFJNHVWTKZUUTR-QAMTZSDWSA-N