4,9-Methanobenz(f)azulen-1(3ah)-one, 4,9,10,10a-tetrahydro-2,3-diphenyl-10a-(1-pyrrolidinyl)-,(3a-alpha,4-beta,9-beta,10a-alpha)-

Base Information

• Chemical Name: 4,9-Methanobenz(f)azulen-1(3ah)-one, 4,9,10,10a-tetrahydro-2,3-diphenyl-10a-(1-pyrrolidinyl)-,(3a-alpha,4-beta,9-beta,10a-alpha)-
• CAS No.: 58311-45-8
• Molecular Formula: C31H29NO
• Molecular Weight: 431.5681
• DSSTox Substance ID: DTXSID70973853
• Wikidata: Q82957953

Synonyms:58311-45-8;4,9-Methanobenz(f)azulen-1(3ah)-one, 4,9,10,10a-tetrahydro-2,3-diphenyl-10a-(1-pyrrolidinyl)-,(3a-alpha,4-beta,9-beta,10a-alpha)-;C31H29NO;DTXSID70973853;C31-H29-N-O;LS-90700;2,3-Diphenyl-10a-(pyrrolidin-1-yl)-4,9,10,10a-tetrahydro-4,9-methanobenzo[f]azulen-1(3aH)-one

Chemical Property of 4,9-Methanobenz(f)azulen-1(3ah)-one, 4,9,10,10a-tetrahydro-2,3-diphenyl-10a-(1-pyrrolidinyl)-,(3a-alpha,4-beta,9-beta,10a-alpha)-

Chemical Property:

• Vapor Pressure: 5.15E-12mmHg at 25°C
• Boiling Point: 546.9°Cat760mmHg
• Flash Point: 201.3°C
• Density: 1.235g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 431.224914549
• Heavy Atom Count: 33
• Complexity: 796

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C23CC4CC(C2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C47
• Isomeric SMILES: C1CCN(C1)[C@]23C[C@@H]4C[C@H]([C@H]2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C47

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