Cinchonan-9-ol,6'-methoxy-, (8a,9S)- supplier

Name
(8alpha,9S)-6'-methoxycinchonan-9-ol
EINECS 209-341-1
CAS No. 572-60-1
Article Data47
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point <25 °C
Formula C₂₀H₂₄N₂O₂
Boiling Point 495.88 °C at 760 mmHg
Molecular Weight 324.423
Flash Point 253.699 °C
Transport Information
Appearance
Safety 22-36/37-45
Risk Codes 22-42/43
Molecular Structure
Hazard Symbols Xn
Synonyms Epiquinine(6CI,7CI,8CI);9-Epiquinine;9-Epi-Quinine;(8a,9S)-6'-Methoxycinchonan-9-ol;epi-Quinine;(8alpha,9S)-6'-Methoxycinchonan-9-ol;
PSA
LogP

Cinchonan-9-ol,6'-methoxy-, (8a,9S)- Specification

The Cinchonan-9-ol,6'-methoxy-, (8a,9S)- with CAS registry number of 572-60-1 is also known as (8alpha,9S)-6'-Methoxycinchonan-9-ol. The systematic name is (8α,9S)-6'-Methoxycinchonan-9-ol. Its EINECS registry number is 209-341-1. In addition, the formula is C₂₀H₂₄N₂O₂ and the molecular weight is 324.42.

Physical properties about Cinchonan-9-ol,6'-methoxy-, (8a,9S)- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 25; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 45.59Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 95.789 cm³; (15)Molar Volume: 266.371 cm³; (16)Polarizability: 37.974×10^-24cm³; (17)Surface Tension: 56.019 dyne/cm; (18)Density: 1.218 g/cm³; (19)Flash Point: 253.699 °C; (20)Enthalpy of Vaporization: 80.409 kJ/mol; (21)Boiling Point: 495.88 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O(c4cc1c(nccc1[C@H](O)[C@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C
2. InChI: InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20-/m0/s1
3. InChIKey: LOUPRKONTZGTKE-FEBSWUBLBX
4. Std. InChI: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20-/m0/s1
5. Std. InChIKey: LOUPRKONTZGTKE-FEBSWUBLSA-N

Product Name

(8alpha,9S)-6'-methoxycinchonan-9-ol

Cinchonan-9-ol,6'-methoxy-, (8a,9S)- Specification

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