Diaspartate de quinine [French]

Base Information

• Chemical Name: Diaspartate de quinine [French]
• CAS No.: 196225-33-9
• Molecular Formula: C28H38N4O10
• Molecular Weight: 590.6221
• DSSTox Substance ID: DTXSID70941390

Synonyms:Diaspartate de quinine;Diaspartate de quinine [French];Quinine L-aspartate (1:2) (salt);196225-33-9;Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)-, L-aspartate (1:2) (salt);DTXSID70941390;C20H24N2O2.2C4H7NO4;C20-H24-N2-O2.2C4-H7-N-O4;Aspartic acid--6'-methoxycinchonan-9-ol (2/1)

Chemical Property of Diaspartate de quinine [French]

Chemical Property:

• Boiling Point: 495.9°Cat760mmHg
• Flash Point: 253.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 590.25879342
• Heavy Atom Count: 42
• Complexity: 589

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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