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Search term: PZPYEWFLGCCXID (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Chloro-2-[(4-isobutyl-1,4-diazepan-1-yl)methyl]-1H-indole | C18H26ClN3

3-Chloro-2-[(4-isobutyl-1,4-diazepan-1-yl)methyl]-1H-indole

  • Molecular FormulaC18H26ClN3
  • Average mass319.872 Da
  • Monoisotopic mass319.181519 Da
  • ChemSpider ID62758529

More details:

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

1H-Indole, 3-chloro-2-[[hexahydro-4-(2-methylpropyl)-1H-1,4-diazepin-1-yl]methyl]- [ACD/Index Name]
3-Chlor-2-[(4-isobutyl-1,4-diazepan-1-yl)methyl]-1H-indol [German] [ACD/IUPAC Name]
3-Chloro-2-[(4-isobutyl-1,4-diazepan-1-yl)methyl]-1H-indole [ACD/IUPAC Name]
3-Chloro-2-[(4-isobutyl-1,4-diazépan-1-yl)méthyl]-1H-indole [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 451.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.7±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 25.56
Polar Surface Area: 22 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

Click to predict properties on the Chemicalize site


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