Found 2 results

Search term: MF = 'C_{6}H_{3}D_{6}N_{3}O_{2}'
ChemSpider 2D Image | 6-Amino-1,3-bis[(~2~H_3_)methyl]-2,4(1H,3H)-pyrimidinedione | C6H3D6N3O2

6-Amino-1,3-bis[(2H3)methyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC6H3D6N3O2
  • Average mass161.191 Da
  • Monoisotopic mass161.107132 Da
  • ChemSpider ID17279241

  • Non-standard isotope - Non-standard isotope

More details:

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

2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-di(methyl-d3)- [ACD/Index Name]
6-Amino-1,3-bis[(2H3)methyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
6-Amino-1,3-bis[(2H3)methyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
6-Amino-1,3-bis[(2H3)méthyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 243.1±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 100.8±28.2 °C
Index of Refraction: 1.551
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.66
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.04
Polar Surface Area: 67 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 120.4±3.0 cm3

Click to predict properties on the Chemicalize site


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