ChemSpider 2D Image | {4-[6-Ethyl-5-methyl-2-(nitroamino)-4-pyrimidinyl]-1-piperazinyl}acetic acid | C13H20N6O4

{4-[6-Ethyl-5-methyl-2-(nitroamino)-4-pyrimidinyl]-1-piperazinyl}acetic acid

  • Molecular FormulaC13H20N6O4
  • Average mass324.336 Da
  • Monoisotopic mass324.154602 Da
  • ChemSpider ID32826612

More details:

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

{4-[6-Ethyl-5-methyl-2-(nitroamino)-4-pyrimidinyl]-1-piperazinyl}acetic acid [ACD/IUPAC Name]
{4-[6-Ethyl-5-methyl-2-(nitroamino)-4-pyrimidinyl]-1-piperazinyl}essigsäure [German] [ACD/IUPAC Name]
1-Piperazineacetic acid, 4-[6-ethyl-5-methyl-2-(nitroamino)-4-pyrimidinyl]- [ACD/Index Name]
Acide {4-[6-éthyl-5-méthyl-2-(nitroamino)-4-pyrimidinyl]-1-pipérazinyl}acétique [French] [ACD/IUPAC Name]
2-[4-(6-ethyl-5-methyl-2-nitramido-pyrimidin-4-yl)piperazin-1-yl]acetic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 596.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.8±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 236.2±3.0 cm3

Click to predict properties on the Chemicalize site


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