ChemSpider 2D Image | 1-{[(Dimethoxyphosphoryl)methyl]amino}cycloheptanecarboxylic acid | C11H22NO5P

1-{[(Dimethoxyphosphoryl)methyl]amino}cycloheptanecarboxylic acid

  • Molecular FormulaC11H22NO5P
  • Average mass279.270 Da
  • Monoisotopic mass279.123566 Da
  • ChemSpider ID23331739

More details:

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

1-{[(Dimethoxyphosphoryl)methyl]amino}cycloheptancarbonsäure [German] [ACD/IUPAC Name]
1-{[(Dimethoxyphosphoryl)methyl]amino}cycloheptanecarboxylic acid [ACD/IUPAC Name]
Acide 1-{[(diméthoxyphosphoryl)méthyl]amino}cycloheptanecarboxylique [French] [ACD/IUPAC Name]
Cycloheptanecarboxylic acid, 1-[[(dimethoxyphosphinyl)methyl]amino]- [ACD/Index Name]
1-[(Dimethoxyphosphono)methylamino]cycloheptanecarboxylicacid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487883/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±6.0 kJ/mol
Flash Point: 209.9±24.6 °C
Index of Refraction: 1.483
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 232.7±5.0 cm3

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