Found 29 results

Search term: MF = 'C_{30}H_{47}N_{3}O_{6}S'
ChemSpider 2D Image | Diethyl [hexadecyl(6-nitro-1,3-benzothiazol-2-yl)amino]malonate | C30H47N3O6S

Diethyl [hexadecyl(6-nitro-1,3-benzothiazol-2-yl)amino]malonate

  • Molecular FormulaC30H47N3O6S
  • Average mass577.776 Da
  • Monoisotopic mass577.318542 Da
  • ChemSpider ID102759725

More details:

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

[Hexadécyl(6-nitro-1,3-benzothiazol-2-yl)amino]malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [hexadecyl(6-nitro-1,3-benzothiazol-2-yl)amino]malonate [ACD/IUPAC Name]
Diethyl-[hexadecyl(6-nitro-1,3-benzothiazol-2-yl)amino]malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[hexadecyl(6-nitro-2-benzothiazolyl)amino]-, diethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.6±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 162.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 11.54
ACD/LogD (pH 5.5): 10.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 143 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 510.1±3.0 cm3

Click to predict properties on the Chemicalize site


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