ChemSpider 2D Image | N-(4-Amino-5-nitro-2-pyrimidinyl)-N-methyl-beta-alanine | C8H11N5O4

N-(4-Amino-5-nitro-2-pyrimidinyl)-N-methyl-β-alanine

  • Molecular FormulaC8H11N5O4
  • Average mass241.204 Da
  • Monoisotopic mass241.081100 Da
  • ChemSpider ID57947575

More details:

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

N-(4-Amino-5-nitro-2-pyrimidinyl)-N-methyl-β-alanin [German] [ACD/IUPAC Name]
N-(4-Amino-5-nitro-2-pyrimidinyl)-N-methyl-β-alanine [ACD/IUPAC Name]
N-(4-Amino-5-nitro-2-pyrimidinyl)-N-méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-(4-amino-5-nitro-2-pyrimidinyl)-N-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 540.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 280.4±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.35
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 90.7±3.0 dyne/cm
Molar Volume: 155.6±3.0 cm3

Click to predict properties on the Chemicalize site


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