ChemSpider 2D Image | N~4~-[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine | C14H21N7O

N4-[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID29439122

More details:






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

5H-Pyrimido[4,5-d]azepine-2,4-diamine, N4-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro- [ACD/Index Name]
N4-[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2,4-diamin [German] [ACD/IUPAC Name]
N4-[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine [ACD/IUPAC Name]
N4-[2-(3-Éthyl-1,2,4-oxadiazol-5-yl)éthyl]-6,7,8,9-tétrahydro-5H-pyrimido[4,5-d]azépine-2,4-diamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 634.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.4±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.84
Polar Surface Area: 115 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 237.5±3.0 cm3

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