ChemSpider 2D Image | 2-[Allyl(4-bromo-2-butanyl)amino]decanoic acid | C17H32BrNO2

2-[Allyl(4-bromo-2-butanyl)amino]decanoic acid

  • Molecular FormulaC17H32BrNO2
  • Average mass362.345 Da
  • Monoisotopic mass361.161621 Da
  • ChemSpider ID102787815

More details:

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

2-[Allyl(4-brom-2-butanyl)amino]decansäure [German] [ACD/IUPAC Name]
2-[Allyl(4-bromo-2-butanyl)amino]decanoic acid [ACD/IUPAC Name]
Acide 2-[allyl(4-bromo-2-butanyl)amino]décanoïque [French] [ACD/IUPAC Name]
Decanoic acid, 2-[(3-bromo-1-methylpropyl)-2-propen-1-ylamino]- [ACD/Index 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: 427.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 212.1±25.9 °C
Index of Refraction: 1.496
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 33.83
ACD/KOC (pH 5.5): 84.47
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 33.19
ACD/KOC (pH 7.4): 82.89
Polar Surface Area: 41 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 320.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement