4,7-Methanoazulen-3(3ah)-one, 4,5,6,7,8,8a-hexahydro-1,2-diphenyl-3a-(1-piperidinyl)-, (3a-alpha,4-beta,7-beta,8a-alpha)-

Base Information

• Chemical Name: 4,7-Methanoazulen-3(3ah)-one, 4,5,6,7,8,8a-hexahydro-1,2-diphenyl-3a-(1-piperidinyl)-, (3a-alpha,4-beta,7-beta,8a-alpha)-
• CAS No.: 58271-32-2
• Molecular Formula: C28H31NO
• Molecular Weight: 397.5518
• DSSTox Substance ID: DTXSID00973826
• Wikidata: Q82957922

Synonyms:58271-32-2;4,7-Methanoazulen-3(3ah)-one, 4,5,6,7,8,8a-hexahydro-1,2-diphenyl-3a-(1-piperidinyl)-, (3a-alpha,4-beta,7-beta,8a-alpha)-;DTXSID00973826;LS-90494;1,2-Diphenyl-3a-(piperidin-1-yl)-4,5,6,7,8,8a-hexahydro-4,7-methanoazulen-3(3aH)-one

Chemical Property of 4,7-Methanoazulen-3(3ah)-one, 4,5,6,7,8,8a-hexahydro-1,2-diphenyl-3a-(1-piperidinyl)-, (3a-alpha,4-beta,7-beta,8a-alpha)-

Chemical Property:

• Vapor Pressure: 6.78E-12mmHg at 25°C
• Boiling Point: 544°Cat760mmHg
• Flash Point: 204.8°C
• Density: 1.178g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 397.240564612
• Heavy Atom Count: 30
• Complexity: 691

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C23C4CCC(C4)CC2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6
• Isomeric SMILES: C1CCN(CC1)[C@@]23[C@@H]4CC[C@@H](C4)C[C@@H]2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6

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