ChemSpider 2D Image | 3-[4-(3,4-Dichlorobenzyl)-1,4-diazepan-1-yl]propanoic acid | C15H20Cl2N2O2

3-[4-(3,4-Dichlorobenzyl)-1,4-diazepan-1-yl]propanoic acid

  • Molecular FormulaC15H20Cl2N2O2
  • Average mass331.237 Da
  • Monoisotopic mass330.090179 Da
  • ChemSpider ID29304557

More details:






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

1H-1,4-Diazepine-1-propanoic acid, 4-[(3,4-dichlorophenyl)methyl]hexahydro- [ACD/Index Name]
3-[4-(3,4-Dichlorbenzyl)-1,4-diazepan-1-yl]propansäure [German] [ACD/IUPAC Name]
3-[4-(3,4-Dichlorobenzyl)-1,4-diazepan-1-yl]propanoic acid [ACD/IUPAC Name]
Acide 3-[4-(3,4-dichlorobenzyl)-1,4-diazépan-1-yl]propanoïque [French] [ACD/IUPAC Name]
1227955-30-7 [RN]
3-(4-(3,4-Dichlorobenzyl)-1,4-diazepan-1-yl)propanoic acid
3-[4-(3,4-Dichlorobenzyl)homopiperazin-1-yl]propanoic acid
3-[4-[(3,4-dichlorophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
MFCD12545994 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 466.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 235.9±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.43
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 44 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 257.2±3.0 cm3

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