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L 778123

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  • Name L 778123
  • EINECSN/A
  • CAS No. 253863-00-2
  • DensityN/A
  • PSA65.16000
  • LogP4.11018
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC22H21Cl2N5O
  • Boiling Point698.9 °C at 760 mmHg
  • Molecular Weight442.341
  • Flash Point376.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 253863-00-2 (L778123)
  • Hazard SymbolsN/A
  • SynonymsN/A

L 778123 Chemical Properties

IUPAC Name: 4-[[5-[[4-(3-Chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile hydrochloride
Synonyms of L 778123 (CAS NO.253863-00-2 ): 4-((5-((4-(3-Chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride ; Benzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-, monohydrochloride
CAS NO: 253863-00-2
Molecular Formula: C22H21Cl2N5O
Molecular Weight: 442.341
Molecular Structure: 
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 65.16 Å2
Flash Point: 376.5 °C
Enthalpy of Vaporization: 102.32 kJ/mol
Boiling Point: 698.9 °C at 760 mmHg
Vapour Pressure: 2.22E-19 mmHg at 25°C 
SMILES: Cl.N#Cc1ccc(cc1)Cn2c(cnc2)CN4CC(=O)N(c3cccc(Cl)c3)CC4
InChI: InChI=1/C22H20ClN5O.ClH/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18;/h1-7,10,12,16H,8-9,13-15H2;1H
InChIKey: YNBSQYGTJLIPJS-UHFFFAOYAA
Std. InChI: InChI=1S/C22H20ClN5O.ClH/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18;/h1-7,10,12,16H,8-9,13-15H2;1H
Std. InChIKey: YNBSQYGTJLIPJS-UHFFFAOYSA-N

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