ChemSpider 2D Image | 2-{[2-(Benzylamino)-4-pyrimidinyl]amino}benzoic acid | C18H16N4O2

2-{[2-(Benzylamino)-4-pyrimidinyl]amino}benzoic acid

  • Molecular FormulaC18H16N4O2
  • Average mass320.345 Da
  • Monoisotopic mass320.127319 Da
  • ChemSpider ID23287544

More details:

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

2-{[2-(Benzylamino)-4-pyrimidinyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[2-(Benzylamino)-4-pyrimidinyl]amino}benzoic acid [ACD/IUPAC Name]
2-{[2-(benzylamino)pyrimidin-4-yl]amino}benzoic acid
Acide 2-{[2-(benzylamino)-4-pyrimidinyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(phenylmethyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
2-(2-(benzylamino)pyrimidin-4-ylamino)benzoic acid
4-anilinopyrimidine 7b
Kinome_1265

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.4±32.9 °C
Index of Refraction: 1.722
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 7.02
ACD/KOC (pH 5.5): 29.51
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 2.32
ACD/KOC (pH 7.4): 9.74
Polar Surface Area: 87 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 234.6±3.0 cm3

Click to predict properties on the Chemicalize site


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