ChemSpider 2D Image | 4-(4-Chlorobenzyl)-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1(2H)-phthalazinone | C22H24ClN3O

4-(4-Chlorobenzyl)-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1(2H)-phthalazinone

  • Molecular FormulaC22H24ClN3O
  • Average mass381.898 Da
  • Monoisotopic mass381.160797 Da
  • ChemSpider ID21468760

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]- [ACD/Index Name]
4-(4-Chlorbenzyl)-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-2-[2-(1-méthyl-2-pyrrolidinyl)éthyl]-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1(2H)-phthalazinone [ACD/IUPAC Name]
117078-70-3 [RN]
4-(4-CHLOROBENZYL)-2-(2-(1-METHYLPYRROLIDIN-2-YL)ETHYL)PHTHALAZIN-1(2H)-ONE
4-[(4-chlorophenyl)methyl]-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1(2h)-phthalazinone
4-[(4-Chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1(2H)-one
4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
756415-37-9 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 532.5±56.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 275.8±31.8 °C
    Index of Refraction: 1.642
    Molar Refractivity: 110.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.64
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.76
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 2.10
    ACD/KOC (pH 7.4): 10.48
    Polar Surface Area: 36 Å2
    Polarizability: 43.6±0.5 10-24cm3
    Surface Tension: 47.5±7.0 dyne/cm
    Molar Volume: 304.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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