ChemSpider 2D Image | 2-(2-Amino-5-pyrimidinyl)benzaldehyde | C11H9N3O

2-(2-Amino-5-pyrimidinyl)benzaldehyde

  • Molecular FormulaC11H9N3O
  • Average mass199.209 Da
  • Monoisotopic mass199.074554 Da
  • ChemSpider ID21521295

More details:

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

2-(2-Amino-5-pyrimidinyl)benzaldehyd [German] [ACD/IUPAC Name]
2-(2-Amino-5-pyrimidinyl)benzaldehyde [ACD/IUPAC Name]
2-(2-Amino-5-pyrimidinyl)benzaldéhyde [French] [ACD/IUPAC Name]
2-(2-Aminopyrimidin-5-yl)benzaldehyde
914349-52-3 [RN]
Benzaldehyde, 2-(2-amino-5-pyrimidinyl)- [ACD/Index Name]
MFCD05864832 [MDL number]
[914349-52-3] [RN]
Benzaldehyde,2-(2-amino-5-pyrimidinyl)-
BR-17914
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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: 1.3±0.1 g/cm3
    Boiling Point: 482.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 245.6±31.5 °C
    Index of Refraction: 1.671
    Molar Refractivity: 58.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.74
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.85
    ACD/KOC (pH 5.5): 123.04
    ACD/LogD (pH 7.4): 1.31
    ACD/BCF (pH 7.4): 5.87
    ACD/KOC (pH 7.4): 123.54
    Polar Surface Area: 69 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 64.6±3.0 dyne/cm
    Molar Volume: 155.1±3.0 cm3

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