ChemSpider 2D Image | 1-(11-(dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | C30H55N5O3

1-(11-(dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

  • Molecular FormulaC30H55N5O3
  • Average mass533.789 Da
  • Monoisotopic mass533.430481 Da
  • ChemSpider ID2338968

More details:

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

1-(11-(dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
1-[11-(Dodecylamino)-10-hydroxyundecyl]-3,7-dimethyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-[11-(Dodecylamino)-10-hydroxyundecyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-[11-(Dodécylamino)-10-hydroxyundécyl]-3,7-diméthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
166981-13-1 [RN]
1H-Purine-2,6-dione, 1-(11-(dodecylamino)-10-hydroxyundecyl)-3,7-dihydro-3,7-dimethyl-
1H-Purine-2,6-dione, 1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dihydro-3,7-dimethyl- [ACD/Index Name]
1-[11-(DODECYLAMINO)-10-HYDROXYUNDECYL]-3,7-DIMETHYLPURINE-2,6-DIONE
160944-05-8 [RN]
1H-Purine-2,6-dione,1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dihydro-3,7-dimethyl-

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

67E5N3R22H [DBID]
CT-2584 [DBID]
UNII:67E5N3R22H [DBID]
CT 2584 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 691.4±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 371.9±30.9 °C
Index of Refraction: 1.550
Molar Refractivity: 155.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 665.76
ACD/KOC (pH 5.5): 499.31
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 7282.45
ACD/KOC (pH 7.4): 5461.70
Polar Surface Area: 91 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 488.9±7.0 cm3

Click to predict properties on the Chemicalize site


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