Found 1 result

Search term: 29814712 (Found by CSID)
ChemSpider 2D Image | 13-(2-Dodecanyl)-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9-isopropyl-12-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone | C28H51N3O7

13-(2-Dodecanyl)-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9-isopropyl-12-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

  • Molecular FormulaC28H51N3O7
  • Average mass541.720 Da
  • Monoisotopic mass541.372681 Da
  • ChemSpider ID29814712

More details:

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

13-(2-Dodecanyl)-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9-isopropyl-12-methyl-1-oxa-4,7,10-triazacyclotridecan-2,5,8,11-tetron [German] [ACD/IUPAC Name]
13-(2-Dodecanyl)-6-(1-hydroxyethyl)-3-(hydroxymethyl)-9-isopropyl-12-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone [ACD/IUPAC Name]
13-(2-Dodécanyl)-6-(1-hydroxyéthyl)-3-(hydroxyméthyl)-9-isopropyl-12-méthyl-1-oxa-4,7,10-triazacyclotridécane-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
1-Oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone, 6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-(1-methylethyl)-13-(1-methylundecyl)- [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: 821.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.9±6.0 kJ/mol
Flash Point: 450.8±34.3 °C
Index of Refraction: 1.469
Molar Refractivity: 144.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.10
ACD/KOC (pH 5.5): 780.46
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.10
ACD/KOC (pH 7.4): 780.45
Polar Surface Area: 154 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 520.2±3.0 cm3

Click to predict properties on the Chemicalize site


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