Cyclobuxine D

Base Information

• Chemical Name: Cyclobuxine D
• CAS No.: 2241-90-9
• Molecular Formula: C25H42 N2 O
• Molecular Weight: 386.61378
• NSC Number: 91720
• UNII: RP83EW60V2
• DSSTox Substance ID: DTXSID101046371
• Nikkaji Number: J7.374A
• Wikipedia: Cyclobuxine
• Wikidata: Q25110141
• Metabolomics Workbench ID: 198878
• Mol file: 2241-90-9.mol

Synonyms:cyclobuxine;cyclobuxine D

Chemical Property of Cyclobuxine D

Chemical Property:

• Vapor Pressure: 7.7E-12mmHg at 25°C
• Melting Point: 236-238℃
• Boiling Point: 494.2°Cat760mmHg
• Flash Point: 53.5°C
• PSA: 44.29000
• Density: 1.08g/cm³
• LogP: 4.90400
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 386.329713967
• Heavy Atom Count: 28
• Complexity: 692

Purity/Quality:

99.5% ^*data from raw suppliers

Cyclobuxine D ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5=C)NC)C)C)O)NC
• Isomeric SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5=C)NC)C)C)O)NC

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