Quinine formate

Base Information

• Chemical Name: Quinine formate
• CAS No.: 130-90-5
• Molecular Formula: C20H24N2O2•CH2O2
• Molecular Weight: 370.49
• Hs Code.: 29392000
• European Community (EC) Number: 205-002-7
• UNII: F87792011E
• DSSTox Substance ID: DTXSID50156283
• Wikidata: Q27277800
• Mol file: 130-90-5.mol

Synonyms:Quinine formate;130-90-5;Quinine, formate (salt);UNII-F87792011E;EINECS 205-002-7;F87792011E;(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic acid;ameisensaure Chinin;SCHEMBL1171129;DTXSID50156283;QUININE FORMATE [WHO-DD];C20H24N2O2.CH2O2;QUININE, FORMATE (1:1) (SALT);C20-H24-N2-O2.C-H2-O2;Q27277800;CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, MONOFORMATE (SALT)

Chemical Property of Quinine formate

Chemical Property:

• Vapor Pressure: 1.19E-10mmHg at 25°C
• Melting Point: 149.5°C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 495.9°Cat760mmHg
• Flash Point: 253.7°C
• PSA: 82.89000
• Density: 1.21g/cm³
• LogP: 3.44780
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 370.18925731
• Heavy Atom Count: 27
• Complexity: 467

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C(=O)O
• Isomeric SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.C(=O)O