ChemSpider 2D Image | N-Benzyl-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine | C13H11ClN4

N-Benzyl-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine

  • Molecular FormulaC13H11ClN4
  • Average mass258.706 Da
  • Monoisotopic mass258.067230 Da
  • ChemSpider ID24598014

More details:

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

5H-Pyrrolo[3,2-d]pyrimidin-4-amine, 2-chloro-N-(phenylmethyl)- [ACD/Index Name]
63200-55-5 [RN]
N-Benzyl-2-chlor-5H-pyrrolo[3,2-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-Benzyl-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-Benzyl-2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
2-Chloro-N-(phenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
5-methyl-2-(4-nitrophenyl)pyrazol-3-amine
DS-2907
MFCD11109826 [MDL number]
N-Benzyl-2-chloro-5H-pyrrolo-[3,2-d]pyrimidin-4-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 441.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 220.7±23.7 °C
Index of Refraction: 1.753
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 19.90
ACD/KOC (pH 5.5): 157.98
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 164.21
ACD/KOC (pH 7.4): 1303.43
Polar Surface Area: 54 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 180.4±3.0 cm3

Click to predict properties on the Chemicalize site


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