ChemSpider 2D Image | 2-{[3-(1-Pyrrolidinyl)propyl]sulfanyl}-4,6-pyrimidinediamine | C11H19N5S

2-{[3-(1-Pyrrolidinyl)propyl]sulfanyl}-4,6-pyrimidinediamine

  • Molecular FormulaC11H19N5S
  • Average mass253.367 Da
  • Monoisotopic mass253.136108 Da
  • ChemSpider ID33942561

More details:

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

2-{[3-(1-Pyrrolidinyl)propyl]sulfanyl}-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
2-{[3-(1-Pyrrolidinyl)propyl]sulfanyl}-4,6-pyrimidinediamine [ACD/IUPAC Name]
2-{[3-(1-Pyrrolidinyl)propyl]sulfanyl}-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]
4,6-Pyrimidinediamine, 2-[[3-(1-pyrrolidinyl)propyl]thio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 250.1±25.9 °C
Index of Refraction: 1.641
Molar Refractivity: 71.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 199.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement