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ChemSpider 2D Image | N-Methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine | C10H12N4O2

N-Methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-β-alanine

  • Molecular FormulaC10H12N4O2
  • Average mass220.228 Da
  • Monoisotopic mass220.096024 Da
  • ChemSpider ID57947536

More details:

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

N-Methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-β-alanin [German] [ACD/IUPAC Name]
N-Methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-β-alanine [ACD/IUPAC Name]
N-Méthyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl- [ACD/Index 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: 490.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.2±25.9 °C
Index of Refraction: 1.705
Molar Refractivity: 59.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 81.4±3.0 dyne/cm
Molar Volume: 153.9±3.0 cm3

Click to predict properties on the Chemicalize site


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