4,7-Methano-1H-inden-1-one, 3a,4,5,6,7,7a-hexahydro-2,3-diphenyl-7a-(4-methyl-1-piperazinyl)-,(3a-alpha,4-beta,7-beta,7a-alpha)-

Base Information

• Chemical Name: 4,7-Methano-1H-inden-1-one, 3a,4,5,6,7,7a-hexahydro-2,3-diphenyl-7a-(4-methyl-1-piperazinyl)-,(3a-alpha,4-beta,7-beta,7a-alpha)-
• CAS No.: 58311-39-0
• Molecular Formula: C27H30 N2 O
• Molecular Weight: 398.5399
• DSSTox Substance ID: DTXSID10973852
• Wikidata: Q82957952

Synonyms:58311-39-0;4,7-Methano-1H-inden-1-one, 3a,4,5,6,7,7a-hexahydro-2,3-diphenyl-7a-(4-methyl-1-piperazinyl)-,(3a-alpha,4-beta,7-beta,7a-alpha)-;C27H30N2O;DTXSID10973852;LS-90967;7a-(4-Methylpiperazin-1-yl)-2,3-diphenyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-1-one

Chemical Property of 4,7-Methano-1H-inden-1-one, 3a,4,5,6,7,7a-hexahydro-2,3-diphenyl-7a-(4-methyl-1-piperazinyl)-,(3a-alpha,4-beta,7-beta,7a-alpha)-

Chemical Property:

• Vapor Pressure: 4.58E-12mmHg at 25°C
• Boiling Point: 548.1°C at 760 mmHg
• Flash Point: 227.8°C
• Density: 1.205g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 398.235813585
• Heavy Atom Count: 30
• Complexity: 708

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C23C4CCC(C4)C2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6
• Isomeric SMILES: CN1CCN(CC1)[C@@]23[C@H]4CC[C@H](C4)[C@@H]2C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6

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