1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride

Base Information

• Chemical Name: 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride
• CAS No.: 110406-42-3
• Molecular Formula: C29H29 Cl2 N3 O . Cl H
• Molecular Weight: 542.927
• DSSTox Substance ID: DTXSID40911641
• Mol file: 110406-42-3.mol

Synonyms:110406-42-3;1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride;DTXSID40911641;LS-109198;2-{1-[2-(3-Chlorophenyl)ethyl]azepan-4-yl}-4-[(4-chlorophenyl)methyl]phthalazin-1(2H)-one--hydrogen chloride (1/1)

Chemical Property of 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride

Chemical Property:

• Vapor Pressure: 2.1E-16mmHg at 25°C
• Boiling Point: 642.6°C at 760 mmHg
• Flash Point: 342.4°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 541.145446
• Heavy Atom Count: 36
• Complexity: 737

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCN(C1)CCC2=CC(=CC=C2)Cl)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl

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