ChemSpider 2D Image | N-(4-{4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)acetamide | C37H58N2O4

N-(4-{4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)acetamide

  • Molecular FormulaC37H58N2O4
  • Average mass594.867 Da
  • Monoisotopic mass594.439636 Da
  • ChemSpider ID3721632

More details:

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

Acetamide, N-[[4-[4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]- [ACD/Index Name]
N-(4-{4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)acetamid [German] [ACD/IUPAC Name]
N-(4-{4-[(Dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)acetamide [ACD/IUPAC Name]
N-(4-{4-[(Dioctylamino)méthyl]-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}benzyl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 746.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 405.0±32.9 °C
Index of Refraction: 1.525
Molar Refractivity: 177.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 2091.29
ACD/KOC (pH 5.5): 1223.89
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 55418.98
ACD/KOC (pH 7.4): 32433.01
Polar Surface Area: 71 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 578.4±3.0 cm3

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