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Technology Process of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)

1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)

Base Information
  • Chemical Name:1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
  • CAS No.:110406-48-9
  • Molecular Formula:C30H31 Cl F N3 O . Cl H
  • Molecular Weight:540.499
  • Hs Code.:
  • DSSTox Substance ID:DTXSID00911647
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)

Synonyms:110406-48-9;1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1);C30H31ClFN3O.ClH.H2O;DTXSID00911647;C30-H31-Cl-F-N3-O.Cl-H.H2-O;LS-109209;4-[(4-Chlorophenyl)methyl]-2-{1-[3-(4-fluorophenyl)propyl]azepan-4-yl}phthalazin-1(2H)-one--hydrogen chloride (1/1)

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Chemical Property of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
Chemical Property:
  • Vapor Pressure:1.16E-16mmHg at 25°C 
  • Boiling Point:647.7°Cat760mmHg 
  • Flash Point:345.5°C 
  • Density:g/cm3 
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:7
  • Exact Mass:539.1906462
  • Heavy Atom Count:37
  • Complexity:747
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  • Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1CC(CCN(C1)CCCC2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl
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