ChemSpider 2D Image | 6-Chloro-N~4~-(1-phenylethyl)-2,4-pyrimidinediamine | C12H13ClN4

6-Chloro-N4-(1-phenylethyl)-2,4-pyrimidinediamine

  • Molecular FormulaC12H13ClN4
  • Average mass248.711 Da
  • Monoisotopic mass248.082870 Da
  • ChemSpider ID21105807

More details:

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

2,4-Pyrimidinediamine, 6-chloro-N4-(1-phenylethyl)- [ACD/Index Name]
6-Chlor-N4-(1-phenylethyl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Chloro-N4-(1-phenylethyl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Chloro-N4-(1-phényléthyl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
122862-38-8 [RN]
2,4-pyrimidinediamine, 6-chloro-N4-(1-phenylethyl)-
6-chloro-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
6-chloro-N4-(1-phenylethyl)pyrimidine-2,4-diamine
CS-2037
MFCD00973759 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 465.6±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.4±30.9 °C
Index of Refraction: 1.673
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.34
ACD/KOC (pH 5.5): 1187.12
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.42
ACD/KOC (pH 7.4): 1204.80
Polar Surface Area: 64 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 187.5±3.0 cm3

Click to predict properties on the Chemicalize site


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