ChemSpider 2D Image | 1-{4-[(~2~H_3_)Methyloxy]phenyl}-2-{[4-(4-nitrophenyl)-2-butanyl]amino}ethanol | C19H21D3N2O4

1-{4-[(2H3)Methyloxy]phenyl}-2-{[4-(4-nitrophenyl)-2-butanyl]amino}ethanol

  • Molecular FormulaC19H21D3N2O4
  • Average mass347.423 Da
  • Monoisotopic mass347.192444 Da
  • ChemSpider ID115006660

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{4-[(2H3)Methyloxy]phenyl}-2-{[4-(4-nitrophenyl)-2-butanyl]amino}ethanol [German] [ACD/IUPAC Name]
1-{4-[(2H3)Methyloxy]phenyl}-2-{[4-(4-nitrophenyl)-2-butanyl]amino}ethanol [ACD/IUPAC Name]
1-{4-[(2H3)Méthyloxy]phényl}-2-{[4-(4-nitrophényl)-2-butanyl]amino}éthanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[[[1-methyl-3-(4-nitrophenyl)propyl]amino]methyl]-4-(methyl-d3-oxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 519.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 22.48
Polar Surface Area: 87 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 292.3±3.0 cm3

Click to predict properties on the Chemicalize site


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