ChemSpider 2D Image | 1-(4-Hydroxy-2-imino-2,4a,7,8-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepin-6-yl)ethanone | C9H11N5O2

1-(4-Hydroxy-2-imino-2,4a,7,8-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepin-6-yl)ethanone

  • Molecular FormulaC9H11N5O2
  • Average mass221.216 Da
  • Monoisotopic mass221.091278 Da
  • ChemSpider ID58830014

More details:

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

1-(4-Hydroxy-2-imino-2,4a,7,8-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepin-6-yl)ethanon [German] [ACD/IUPAC Name]
1-(4-Hydroxy-2-imino-2,4a,7,8-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepin-6-yl)ethanone [ACD/IUPAC Name]
1-(4-Hydroxy-2-imino-2,4a,7,8-tétrahydro-1H-pyrimido[4,5-b][1,4]diazépin-6-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(2,4a,7,8-tetrahydro-4-hydroxy-2-imino-1H-pyrimido[4,5-b][1,4]diazepin-6-yl)- [ACD/Index Name]
2-amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-one
6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one

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

Density: 1.7±0.1 g/cm3
Boiling Point: 416.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±6.0 kJ/mol
Flash Point: 205.5±31.5 °C
Index of Refraction: 1.782
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -3.31
ACD/LogD (pH 5.5): -4.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 75.2±7.0 dyne/cm
Molar Volume: 129.8±7.0 cm3

Click to predict properties on the Chemicalize site


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