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

Base Information

• Chemical Name: 1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride
• CAS No.: 110406-41-2
• Molecular Formula: C29H29 Cl2 N3 O . Cl H
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80911640
• Mol file: 110406-41-2.mol

Synonyms:110406-41-2;1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-chlorophenyl)methyl)-, monohydrochloride;1(2H)-Phthalazinone, 2-(1-(2-(4-chlorophenyl)ethyl)hexahydro-1H-azepin -4-yl)-4-((4-chlorophenyl)met;2-[1-[2-(4-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one;hydrochloride;C29H29Cl2N3O.ClH;DTXSID80911640;NFLFLIMLTBODCP-UHFFFAOYSA-N;LS-109199;2-{1-[2-(4-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-(4-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°Cat760mmHg
• Flash Point: 342.4°C
• PSA: 38.13000
• Density: g/cm³
• LogP: 7.30370
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 541.145446
• Heavy Atom Count: 36
• Complexity: 729

Purity/Quality:

2-(1-(2-(4-CHLOROPHENYL)ETHYL)HEXAHYDRO-1H-AZEPIN-4-YL)-4-((4-CHLOROPHENYL)METHYL)-1(2H)-PHTHALAZINONE MONOHYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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