ChemSpider 2D Image | 6-Chloro-N~4~-(3-pentanyl)-2,4,5-pyrimidinetriamine | C9H16ClN5

6-Chloro-N4-(3-pentanyl)-2,4,5-pyrimidinetriamine

  • Molecular FormulaC9H16ClN5
  • Average mass229.710 Da
  • Monoisotopic mass229.109421 Da
  • ChemSpider ID57255981

More details:






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

2,4,5-Pyrimidinetriamine, 6-chloro-N4-(1-ethylpropyl)- [ACD/Index Name]
6-Chlor-N4-(3-pentanyl)-2,4,5-pyrimidintriamin [German] [ACD/IUPAC Name]
6-Chloro-N4-(3-pentanyl)-2,4,5-pyrimidinetriamine [ACD/IUPAC Name]
6-Chloro-N4-(3-pentanyl)-2,4,5-pyrimidinetriamine [French] [ACD/IUPAC Name]
6-chloro-N4-(1-ethylpropyl)pyrimidine-2,4,5-triamine
MFCD30011897

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 445.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.4±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 63.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.51
ACD/KOC (pH 5.5): 652.52
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.33
ACD/KOC (pH 7.4): 693.03
Polar Surface Area: 90 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 178.3±3.0 cm3

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