ChemSpider 2D Image | Isopropyl (2E)-3-{[methoxy(propylamino)phosphoryl]oxy}-2-butenoate | C11H22NO5P

Isopropyl (2E)-3-{[methoxy(propylamino)phosphoryl]oxy}-2-butenoate

  • Molecular FormulaC11H22NO5P
  • Average mass279.270 Da
  • Monoisotopic mass279.123566 Da
  • ChemSpider ID64881582

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{[Méthoxy(propylamino)phosphoryl]oxy}-2-buténoate d'isopropyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 3-[[methoxy(propylamino)phosphinyl]oxy]-, 1-methylethyl ester, (2E)- [ACD/Index Name]
Isopropyl (2E)-3-{[methoxy(propylamino)phosphoryl]oxy}-2-butenoate [ACD/IUPAC Name]
Isopropyl-(2E)-3-{[methoxy(propylamino)phosphoryl]oxy}-2-butenoat [German] [ACD/IUPAC 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: 326.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 151.4±28.4 °C
Index of Refraction: 1.455
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.35
ACD/KOC (pH 5.5): 158.92
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.35
ACD/KOC (pH 7.4): 158.93
Polar Surface Area: 84 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 253.1±3.0 cm3

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