ChemSpider 2D Image | N-[2-Chloro-6-(1-pyrrolidinyl)benzyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine | C20H28ClN5

N-[2-Chloro-6-(1-pyrrolidinyl)benzyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine

  • Molecular FormulaC20H28ClN5
  • Average mass373.923 Da
  • Monoisotopic mass373.203339 Da
  • ChemSpider ID29798610

More details:






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

5H-1,2,4-Triazolo[4,3-a]azepine-3-ethanamine, N-[[2-chloro-6-(1-pyrrolidinyl)phenyl]methyl]-6,7,8,9-tetrahydro- [ACD/Index Name]
N-[2-Chlor-6-(1-pyrrolidinyl)benzyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamin [German] [ACD/IUPAC Name]
N-[2-Chloro-6-(1-pyrrolidinyl)benzyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine [ACD/IUPAC Name]
N-[2-Chloro-6-(1-pyrrolidinyl)benzyl]-2-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)éthanamine [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: 596.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.3±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 106.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 20.10
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 138.96
ACD/KOC (pH 7.4): 917.45
Polar Surface Area: 46 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 285.4±7.0 cm3

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