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83-75-0

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Basic Information
CAS No.: 83-75-0
Name: EUQUININE
Molecular Structure:
Molecular Structure of 83-75-0 (EUQUININE)
Formula: C23H28N2O4
Molecular Weight: 396.486
Synonyms: Aecachinium;Quinine ethyl carbonate;Euquinin;Euquinine;Quinine, ethyl carbonate (ester)(6CI,7CI,8CI);Cinchonan-9-ol,6'-methoxy-, ethyl carbonate (ester), (8a,9R)- (9CI);
EINECS: 201-500-3
Density: 1.21 g/cm3
Boiling Point: 526.3 °C at 760 mmHg
Flash Point: 272.1 °C
PSA: 60.89000
LogP: 4.29190
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Specification

The Quinine ethylcarbonate, with the CAS registry number 83-75-0, is also known as Ethyl quinine carbonate. Its EINECS registry number is 201-500-3. This chemical's molecular formula is C23H28N2O4 and molecular weight is 396.48. Its IUPAC name is called [(R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] ethyl carbonate.

Physical properties of Quinine ethylcarbonate: (1)ACD/LogP: 4.14; (2)#H bond acceptors: 6; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 8; (5)Index of Refraction: 1.6; (6)Molar Refractivity: 111.74 cm3; (7)Molar Volume: 326.4 cm3; (8)Surface Tension: 52.2 dyne/cm; (9)Density: 1.21 g/cm3; (10)Flash Point: 272.1 °C; (11)Enthalpy of Vaporization: 80.06 kJ/mol; (12)Boiling Point: 526.3 °C at 760 mmHg; (13)Vapour Pressure: 3.63E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)OC(C1CC2CCN1CC2C=C)C3=C4C=C(C=CC4=NC=C3)OC
(2)Isomeric SMILES: CCOC(=O)O[C@@H]([C@@H]1C[C@H]2CCN1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC
(3)InChI: InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3/t15-,16+,21-,22+/m0/s1
(4)InChIKey: NSBRKSWSLRQPJW-VYXDICFBSA-N