ChemSpider 2D Image | N-[4-(Difluoromethoxy)-3-ethoxybenzyl]-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]cyclopropanamine | C21H23F2N5O2

N-[4-(Difluoromethoxy)-3-ethoxybenzyl]-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]cyclopropanamine

  • Molecular FormulaC21H23F2N5O2
  • Average mass415.436 Da
  • Monoisotopic mass415.181976 Da
  • ChemSpider ID21747154

More details:






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

1H-Tetrazole-5-methanamine, N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-phenyl- [ACD/Index Name]
N-[4-(Difluormethoxy)-3-ethoxybenzyl]-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]cyclopropanamin [German] [ACD/IUPAC Name]
N-[4-(Difluoromethoxy)-3-ethoxybenzyl]-N-[(1-phenyl-1H-tetrazol-5-yl)methyl]cyclopropanamine [ACD/IUPAC Name]
N-[4-(Difluorométhoxy)-3-éthoxybenzyl]-N-[(1-phényl-1H-tétrazol-5-yl)méthyl]cyclopropanamine [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: 539.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.1±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 108.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.56
ACD/KOC (pH 5.5): 1192.53
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.75
ACD/KOC (pH 7.4): 1260.99
Polar Surface Area: 65 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 310.0±7.0 cm3

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