ChemSpider 2D Image | 3-(5-Amino-6-{[(1R)-1-phenylethyl]amino}-2-pyrazinyl)-4-chlorobenzoic acid | C19H17ClN4O2

3-(5-Amino-6-{[(1R)-1-phenylethyl]amino}-2-pyrazinyl)-4-chlorobenzoic acid

  • Molecular FormulaC19H17ClN4O2
  • Average mass368.817 Da
  • Monoisotopic mass368.104004 Da
  • ChemSpider ID30832739

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(5-Amino-6-{[(1R)-1-phenylethyl]amino}-2-pyrazinyl)-4-chlorbenzoesäure [German] [ACD/IUPAC Name]
3-(5-Amino-6-{[(1R)-1-phenylethyl]amino}-2-pyrazinyl)-4-chlorobenzoic acid [ACD/IUPAC Name]
3-(5-Amino-6-{[(1r)-1-Phenylethyl]amino}pyrazin-2-Yl)-4-Chlorobenzoic Acid
Acide 3-(5-amino-6-{[(1R)-1-phényléthyl]amino}-2-pyrazinyl)-4-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[5-amino-6-[[(1R)-1-phenylethyl]amino]-2-pyrazinyl]-4-chloro- [ACD/Index Name]
22Y
LDHA-IN-22Y

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

Density: 1.4±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.5±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 31.67
ACD/KOC (pH 5.5): 114.35
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 8.80
Polar Surface Area: 101 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 265.3±3.0 cm3

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