2-[1-[2-(4-Chlorophenyl)Ethyl]Azepan-4-Yl]-4-[(4-Chlorophenyl)Methyl]Phthalazin-1-One Hydrochloride
[CAS# 110406-41-2]

Identification

• Name: 2-[1-[2-(4-Chlorophenyl)Ethyl]Azepan-4-Yl]-4-[(4-Chlorophenyl)Methyl]Phthalazin-1-One Hydrochloride
• Synonyms: 2-[1-[2-(4-Chlorophenyl)Ethyl]-4-Azepanyl]-4-[(4-Chlorophenyl)Methyl]-1-Phthalazinone Hydrochloride; 4-(4-Chlorobenzyl)-2-[1-[2-(4-Chlorophenyl)Ethyl]Azepan-4-Yl]Phthalazin-1-One Hydrochloride; 1(2H)-Phthalazinone, 2-(1-(2-(4-Chlorophenyl)Ethyl)Hexahydro-1H-Azepin-4-Yl)-4-((4-Chlorophenyl)Methyl)-, Monohydrochloride
• Molecular Formula: C₂₉H₃₀Cl₃N₃O
• Molecular Weight: 542.93
• CAS Registry Number: 110406-41-2
• SMILES: [H+].C1=CC=CC2=C1C(=O)N(N=C2CC3=CC=C(Cl)C=C3)C4CCN(CCC4)CCC5=CC=C(Cl)C=C5.[Cl-]
• InChI: 1S/C29H29Cl2N3O.ClH/c30-23-11-7-21(8-12-23)15-18-33-17-3-4-25(16-19-33)34-29(35)27-6-2-1-5-26(27)28(32-34)20-22-9-13-24(31)14-10-22;/h1-2,5-14,25H,3-4,15-20H2;1H
• InChIKey: NFLFLIMLTBODCP-UHFFFAOYSA-N

Properties

• Boiling point: 642.6°C at 760 mmHg (Cal.)
• Flash point: 342.4°C (Cal.)