Spirasine IX

Base Information

• Chemical Name: Spirasine IX
• CAS No.: 102386-47-0
• Molecular Formula: C20H25 N O
• Molecular Weight: 295.4186
• DSSTox Substance ID: DTXSID70907451
• Mol file: 102386-47-0.mol

Synonyms:spirasine IX

Chemical Property of Spirasine IX

Chemical Property:

• Vapor Pressure: 1.85E-07mmHg at 25°C
• Boiling Point: 425.8°Cat760mmHg
• Flash Point: 162.6°C
• PSA: 20.31000
• Density: 1.28g/cm³
• LogP: 2.96850
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 295.193614421
• Heavy Atom Count: 22
• Complexity: 683

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCC34C1C5CC67C3C(=O)C(CC6C4N5C2)C(=C)C7
• Isomeric SMILES: C[C@@]12CCCC34[C@@H]1[C@@H]5CC67[C@H]3C(=O)[C@H](C[C@@H]6C4N5C2)C(=C)C7