ChemSpider 2D Image | 4-{[(2,4-Diamino-6-pteridinyl)methyl][(~2~H_3_)methyl]amino}benzoic acid | C15H12D3N7O2

4-{[(2,4-Diamino-6-pteridinyl)methyl][(2H3)methyl]amino}benzoic acid

  • Molecular FormulaC15H12D3N7O2
  • Average mass328.344 Da
  • Monoisotopic mass328.147552 Da
  • ChemSpider ID48058576

  • Non-standard isotope - Non-standard isotope

More details:

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

4-{[(2,4-Diamino-6-pteridinyl)methyl][(2H3)methyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{[(2,4-Diamino-6-pteridinyl)methyl][(2H3)methyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(2,4-diamino-6-ptéridinyl)méthyl][(2H3)méthyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl]methyl-d3-amino]- [ACD/Index Name]
1794780-00-9 [RN]
4-[(2,4-diaminopteridin-6-yl)methyl-(trideuteriomethyl)amino]benzoic acid
DAMPA-d3

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 689.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.1±3.0 kJ/mol
    Flash Point: 370.7±34.3 °C
    Index of Refraction: 1.799
    Molar Refractivity: 90.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 1.75
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 1.22
    ACD/KOC (pH 5.5): 17.81
    ACD/LogD (pH 7.4): -0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 144 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 102.7±3.0 dyne/cm
    Molar Volume: 212.2±3.0 cm3

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