ChemSpider 2D Image | 4,6-Dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2-pyrimidinamine | C14H20N6

4,6-Dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2-pyrimidinamine

  • Molecular FormulaC14H20N6
  • Average mass272.349 Da
  • Monoisotopic mass272.174957 Da
  • ChemSpider ID22756035

More details:

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

4,6-Dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
4,6-Dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2-pyrimidinamine [ACD/IUPAC Name]
4,6-Diméthyl-N-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-ylméthyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
5H-1,2,4-Triazolo[4,3-a]azepine-3-methanamine, N-(4,6-dimethyl-2-pyrimidinyl)-6,7,8,9-tetrahydro- [ACD/Index 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: 523.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.2±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 78.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.82
ACD/KOC (pH 5.5): 260.30
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.30
ACD/KOC (pH 7.4): 267.77
Polar Surface Area: 69 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 205.1±7.0 cm3

Click to predict properties on the Chemicalize site


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