Hydrocinchonine
[CAS# 485-65-4]

Identification

• Classification: Inorganic chemical industry >> Inorganic salt >> Hydride, nitride, azide >> Hydride
• Name: Hydrocinchonine
• Synonyms: (5-Ethylquinuclidin-2-Yl)-(4-Quinolyl)Methanol; (5-Ethyl-2-Quinuclidinyl)-(4-Quinolyl)Methanol; (5-Ethyl-1-Azabicyclo[2.2.2]Octan-7-Yl)-Quinolin-4-Yl-Methanol
• Molecular Formula: C₁₉H₂₄N₂O
• Molecular Weight: 296.41
• CAS Registry Number: 485-65-4
• EINECS: 207-621-8
• SMILES: C1=CN=C4C(=C1C(C2N3CC(CC)C(C2)CC3)O)C=CC=C4
• 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
• InChIKey: WFJNHVWTKZUUTR-UHFFFAOYSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 467.126°C at 760 mmHg (Cal.)
• Flash point: 236.309°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493