Isotabernamine

Base Information

• Chemical Name: Isotabernamine
• CAS No.: 91794-13-7
• Molecular Formula: C40H48N4O2
• Molecular Weight: 616.8347

Synonyms:Isotabernamine;91794-13-7

Chemical Property of Isotabernamine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.27g/cm³
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 616.37772679
• Heavy Atom Count: 46
• Complexity: 1190

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)C6CC7C(C(CC8=C6NC9=CC=CC=C89)N(CC7=CC)C)C(=O)OC
• Isomeric SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C\C)C)C(=O)OC

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