ChemSpider 2D Image | 3,5-Diamino-N-[(2S)-2-aminopropyl]-6-chloro-2-pyrazinecarboxamide | C8H13ClN6O

3,5-Diamino-N-[(2S)-2-aminopropyl]-6-chloro-2-pyrazinecarboxamide

  • Molecular FormulaC8H13ClN6O
  • Average mass244.681 Da
  • Monoisotopic mass244.083939 Da
  • ChemSpider ID75224760

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, 3,5-diamino-N-[(2S)-2-aminopropyl]-6-chloro- [ACD/Index Name]
3,5-Diamino-N-[(2S)-2-aminopropyl]-6-chlor-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
3,5-Diamino-N-[(2S)-2-aminopropyl]-6-chloro-2-pyrazinecarboxamide [ACD/IUPAC Name]
3,5-Diamino-N-[(2S)-2-aminopropyl]-6-chloro-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 242.0±28.7 °C
Index of Refraction: 1.653
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.54
Polar Surface Area: 133 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 169.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement