ChemSpider 2D Image | {[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino](tetrahydro-3-thiophenyl)methyl}phosphonic acid | C14H20NO5PS

{[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino](tetrahydro-3-thiophenyl)methyl}phosphonic acid

  • Molecular FormulaC14H20NO5PS
  • Average mass345.351 Da
  • Monoisotopic mass345.079987 Da
  • ChemSpider ID110213090

More details:

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

{[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino](tetrahydro-3-thiophenyl)methyl}phosphonic acid [ACD/IUPAC Name]
{[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino](tetrahydro-3-thiophenyl)methyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {[(2,3-dihydro-1,4-benzodioxin-6-ylméthyl)amino](tétrahydro-3-thiophényl)méthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino](tetrahydro-3-thienyl)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 571.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 299.3±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 84.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 241.4±3.0 cm3

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