Quinine formate (salt)
[CAS# 130-90-5]

Identification

• Name: Quinine formate (salt)
• Synonyms: (R)-[(2S,5R)-2-Amino-5-Vinyl-Quinuclidin-2-Yl]-(6-Methoxy-4-Quinolyl)Methanol; Formic Acid; (R)-[(2S,5R)-2-Amino-5-Vinyl-2-Quinuclidinyl]-(6-Methoxy-4-Quinolyl)Methanol; Formic Acid; (R)-[(5R,7S)-7-Amino-5-Ethenyl-1-Azabicyclo[2.2.2]Octan-7-Yl]-(6-Methoxyquinolin-4-Yl)Methanol; Methanoic Acid
• Molecular Formula: C₂₁H₂₇N₃O₄
• Molecular Weight: 385.46
• CAS Registry Number: 130-90-5
• EINECS: 205-002-7
• SMILES: [C@@]1(N2C[C@@H](C(C1)CC2)C=C)(N)[C@H](O)C3=CC=NC4=CC=C(OC)C=C34.O=CO
• InChI: 1S/C20H25N3O2.CH2O2/c1-3-13-12-23-9-7-14(13)11-20(23,21)19(24)16-6-8-22-18-5-4-15(25-2)10-17(16)18;2-1-3/h3-6,8,10,13-14,19,24H,1,7,9,11-12,21H2,2H3;1H,(H,2,3)/t13-,14?,19+,20-;/m0./s1
• InChIKey: WVJZGHKQJTYJBN-KYNMMFKBSA-N

Properties

• Boiling point: 518.3°C at 760 mmHg (Cal.)
• Flash point: 267.2°C (Cal.)