4-[(4-Chlorophenyl)Methyl]-2-[1-(3-Phenylpropyl)Azepan-4-Yl]Phthalazin-1-One Hydrochloride
[CAS# 110406-46-7]

Identification

• Name: 4-[(4-Chlorophenyl)Methyl]-2-[1-(3-Phenylpropyl)Azepan-4-Yl]Phthalazin-1-One Hydrochloride
• Synonyms: 4-[(4-Chlorophenyl)Methyl]-2-[1-(3-Phenylpropyl)-4-Azepanyl]-1-Phthalazinone Hydrochloride; 4-(4-Chlorobenzyl)-2-[1-(3-Phenylpropyl)Azepan-4-Yl]Phthalazin-1-One Hydrochloride; 1(2H)-Phthalazinone, 4-((4-Chlorophenyl)Methyl)-2-(Hexahydro-1-(3-Phenylpropyl)-1H-Azepin-4-Yl)-, Hydrochloride, Hydrate (1:1:1)
• Molecular Formula: C₃₀H₃₃Cl₂N₃O
• Molecular Weight: 522.52
• CAS Registry Number: 110406-46-7
• SMILES: [H+].C1=CC=CC2=C1C(=O)N(N=C2CC3=CC=C(Cl)C=C3)C4CCN(CCC4)CCCC5=CC=CC=C5.[Cl-]
• InChI: 1S/C30H32ClN3O.ClH/c31-25-16-14-24(15-17-25)22-29-27-12-4-5-13-28(27)30(35)34(32-29)26-11-7-20-33(21-18-26)19-6-10-23-8-2-1-3-9-23;/h1-5,8-9,12-17,26H,6-7,10-11,18-22H2;1H
• InChIKey: MMEXHXQMSBROSR-UHFFFAOYSA-N

Properties

• Boiling point: 644.7°C at 760 mmHg (Cal.)
• Flash point: 343.7°C (Cal.)