ChemSpider 2D Image | {[4-(Dimethylamino)benzyl][4-(dodecylcarbamoyl)benzyl]amino}(oxo)acetic acid | C31H45N3O4

{[4-(Dimethylamino)benzyl][4-(dodecylcarbamoyl)benzyl]amino}(oxo)acetic acid

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID9493391

More details:

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

{[4-(Dimethylamino)benzyl][4-(dodecylcarbamoyl)benzyl]amino}(oxo)acetic acid [ACD/IUPAC Name]
{[4-(Dimethylamino)benzyl][4-(dodecylcarbamoyl)benzyl]amino}(oxo)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[[4-(dimethylamino)phenyl]methyl][[4-[(dodecylamino)carbonyl]phenyl]methyl]amino]-2-oxo- [ACD/Index Name]
Acide {[4-(diméthylamino)benzyl][4-(dodécylcarbamoyl)benzyl]amino}(oxo)acétique [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.561
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 262.09
ACD/KOC (pH 5.5): 306.72
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 30.60
ACD/KOC (pH 7.4): 35.81
Polar Surface Area: 90 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 474.9±3.0 cm3

Click to predict properties on the Chemicalize site


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