ChemSpider 2D Image | N-(13-Oxo-3,6,9,12-tetraazatriacont-1-yl)octadecanamide | C44H91N5O2

N-(13-Oxo-3,6,9,12-tetraazatriacont-1-yl)octadecanamide

  • Molecular FormulaC44H91N5O2
  • Average mass722.226 Da
  • Monoisotopic mass721.717285 Da
  • ChemSpider ID93912

More details:

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

257-537-0 [EINECS]
51946-06-6 [RN]
N-(13-Oxo-3,6,9,12-tetraazatriacont-1-yl)octadecanamide
N,N'-[Iminobis(2,1-ethandiylimino-2,1-ethandiyl)]dioctadecanamid [German] [ACD/IUPAC Name]
N,N'-[Iminobis(2,1-ethanediylimino-2,1-ethanediyl)]dioctadecanamide [ACD/IUPAC Name]
N,N'-[Iminobis(2,1-éthanediylimino-2,1-éthanediyl)]dioctadécanamide [French] [ACD/IUPAC Name]
Octadecanamide, N,N'-[iminobis(2,1-ethanediylimino-2,1-ethanediyl)]bis- [ACD/Index Name]
octadecanamide, N,N'-3,6,9-triazaundecane-1,11-diylbis-
[51946-06-6] [RN]
N-(2-{[2-({2-[(2-OCTADECANAMIDOETHYL)AMINO]ETHYL}AMINO)ETHYL]AMINO}ETHYL)OCTADECANAMIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 824.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 82.2±33.0 °C
Index of Refraction: 1.477
Molar Refractivity: 223.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 14.32
ACD/LogD (pH 5.5): 9.43
ACD/BCF (pH 5.5): 903690.81
ACD/KOC (pH 5.5): 44325.60
ACD/LogD (pH 7.4): 10.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1234270.00
Polar Surface Area: 94 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 793.2±3.0 cm3

Click to predict properties on the Chemicalize site


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