ChemSpider 2D Image | 2-Phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine | C13H13N3

2-Phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

  • Molecular FormulaC13H13N3
  • Average mass211.262 Da
  • Monoisotopic mass211.110947 Da
  • ChemSpider ID26337988

More details:

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

2-Phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
2-Phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine [ACD/IUPAC Name]
2-Phényl-5,6,7,8-tétrahydropyrido[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-2-phenyl- [ACD/Index Name]
1196154-90-1 [RN]
1279816-05-5 [RN]
2-PHENYL-5,6,7,8-TETRAHYDRO-PYRIDO-[3,4-D]PYRIMIDINE
2-phenyl-5,8-dihydro-6h-pyrido[3,4-d]pyrimidine
MFCD08060113 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 307.1±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±3.0 kJ/mol
    Flash Point: 139.5±22.9 °C
    Index of Refraction: 1.595
    Molar Refractivity: 62.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.50
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 22.09
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 16.75
    ACD/KOC (pH 7.4): 251.28
    Polar Surface Area: 38 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 49.4±3.0 dyne/cm
    Molar Volume: 184.0±3.0 cm3

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