1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(phenylmethyl)-1H-azepin-4-yl)-

Base Information

• Chemical Name: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(phenylmethyl)-1H-azepin-4-yl)-
• CAS No.: 110406-76-3
• Molecular Formula: C28H28 F N3 O
• Molecular Weight: 441.5398
• DSSTox Substance ID: DTXSID80911665

Synonyms:4-(4-Fluorobenzyl)-2-(hexahydro-1-benzylazepin-4-yl)-1-(2H)-phthalazinone;1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(phenylmethyl)-1H-azepin-4-yl)-;110406-76-3;C28H28FN3O;SCHEMBL10557080;DTXSID80911665;C28-H28-F-N3-O;LS-109264;2-(1-Benzylazepan-4-yl)-4-[(4-fluorophenyl)methyl]phthalazin-1(2H)-one

Chemical Property of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(phenylmethyl)-1H-azepin-4-yl)-

Chemical Property:

• Vapor Pressure: 5.9E-14mmHg at 25°C
• Boiling Point: 591.3°Cat760mmHg
• Flash Point: 311.4°C
• Density: 1.2g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 441.22164069
• Heavy Atom Count: 33
• Complexity: 683

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCN(C1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F

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