Found 1 result

Search term: CZSPKEVHLRWAFC-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-({4-[5,5-Dimethyl-2-(2-methyl-2-propanyl)-1,3-dioxan-2-yl]benzyl}amino)-3-methoxybenzoic acid | C25H33NO5

4-({4-[5,5-Dimethyl-2-(2-methyl-2-propanyl)-1,3-dioxan-2-yl]benzyl}amino)-3-methoxybenzoic acid

  • Molecular FormulaC25H33NO5
  • Average mass427.533 Da
  • Monoisotopic mass427.235870 Da
  • ChemSpider ID129315664

More details:

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

4-({4-[5,5-Dimethyl-2-(2-methyl-2-propanyl)-1,3-dioxan-2-yl]benzyl}amino)-3-methoxybenzoesäure [German] [ACD/IUPAC Name]
4-({4-[5,5-Dimethyl-2-(2-methyl-2-propanyl)-1,3-dioxan-2-yl]benzyl}amino)-3-methoxybenzoic acid [ACD/IUPAC Name]
Acide 4-({4-[5,5-diméthyl-2-(2-méthyl-2-propanyl)-1,3-dioxan-2-yl]benzyl}amino)-3-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[4-[2-(1,1-dimethylethyl)-5,5-dimethyl-1,3-dioxan-2-yl]phenyl]methyl]amino]-3-methoxy- [ACD/Index Name]
3030588-01-0 [RN]
NVS-STG2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 1945.63
ACD/KOC (pH 5.5): 4321.69
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 39.06
ACD/KOC (pH 7.4): 86.75
Polar Surface Area: 77 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 372.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement