ChemSpider 2D Image | 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl 4-[(2-aminoethyl)amino]-4-oxobutanoate | C35H60N2O4

2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl 4-[(2-aminoethyl)amino]-4-oxobutanoate

  • Molecular FormulaC35H60N2O4
  • Average mass572.862 Da
  • Monoisotopic mass572.455322 Da
  • ChemSpider ID8407192

More details:

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

2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl 4-[(2-aminoethyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl-4-[(2-aminoethyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]
4-[(2-Aminoéthyl)amino]-4-oxobutanoate de 2,5,7,8-tétraméthyl-2-(4,8,12-triméthyltridécyl)-3,4-dihydro-2H-chromén-6-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(2-aminoethyl)amino]-4-oxo-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester [ACD/Index 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: 690.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 371.1±31.5 °C
Index of Refraction: 1.501
Molar Refractivity: 170.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.54
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 3985.69
ACD/KOC (pH 5.5): 2127.08
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 155538.63
ACD/KOC (pH 7.4): 83007.70
Polar Surface Area: 91 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 577.6±3.0 cm3

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