ChemSpider 2D Image | 3-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoic acid | C15H15N7O2

3-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoic acid

  • Molecular FormulaC15H15N7O2
  • Average mass325.325 Da
  • Monoisotopic mass325.128723 Da
  • ChemSpider ID30775987

More details:

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

1246636-56-5 [RN]
3-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoic acid
3-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoesäure [German] [ACD/IUPAC Name]
3-{[(2,4-Diamino-6-pteridinyl)methyl](methyl)amino}benzoic acid [ACD/IUPAC Name]
Acide 3-{[(2,4-diamino-6-ptéridinyl)méthyl](méthyl)amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 697.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 375.4±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: 1.54
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.79
ACD/LogD (pH 7.4): -0.84
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

Click to predict properties on the Chemicalize site


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