ChemSpider 2D Image | 2-Benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine | C15H17N3

2-Benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine

  • Molecular FormulaC15H17N3
  • Average mass239.316 Da
  • Monoisotopic mass239.142242 Da
  • ChemSpider ID26340303

More details:

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

1065110-62-4 [RN]
2-benzyl-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine
2-Benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine [ACD/IUPAC Name]
MFCD20040357
PF-3246799

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

Density: 1.1±0.1 g/cm3
Boiling Point: 418.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.7±25.4 °C
Index of Refraction: 1.580
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 16.67
Polar Surface Area: 38 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 215.9±3.0 cm3

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