ChemSpider 2D Image | 9-(Benzyloxy)-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C18H17ClN2O2

9-(Benzyloxy)-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC18H17ClN2O2
  • Average mass328.793 Da
  • Monoisotopic mass328.097870 Da
  • ChemSpider ID13532121

More details:

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

13864987 [Beilstein]
147687-17-0 [RN]
3-(2-Chloroethyl)-2-methyl-9-(phenylmethoxy)-4H-pyrido[1,2-a]pyrimidin-4-one
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-9-(phenylmethoxy)- [ACD/Index Name]
9-(Benzyloxy)-3-(2-chlorethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
9-(Benzyloxy)-3-(2-chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
9-(Benzyloxy)-3-(2-chloroéthyl)-2-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
T66 ANV ENJ C2G D1 GO1R [WLN]
[147687-17-0] [RN]
1184973-69-0 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 505.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.5±3.0 kJ/mol
    Flash Point: 259.2±32.9 °C
    Index of Refraction: 1.608
    Molar Refractivity: 91.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.70
    ACD/LogD (pH 5.5): 3.26
    ACD/BCF (pH 5.5): 177.06
    ACD/KOC (pH 5.5): 1414.51
    ACD/LogD (pH 7.4): 3.26
    ACD/BCF (pH 7.4): 177.35
    ACD/KOC (pH 7.4): 1416.82
    Polar Surface Area: 42 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 45.0±7.0 dyne/cm
    Molar Volume: 264.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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