ChemSpider 2D Image | N-(2-Phosphonoethanimidoyl)-beta-alanine | C5H11N2O5P

N-(2-Phosphonoethanimidoyl)-β-alanine

  • Molecular FormulaC5H11N2O5P
  • Average mass210.125 Da
  • Monoisotopic mass210.040558 Da
  • ChemSpider ID25061383

More details:

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

N-(2-Phosphonoethanimidoyl)-β-alanin [German] [ACD/IUPAC Name]
N-(2-Phosphonoethanimidoyl)-β-alanine [ACD/IUPAC Name]
N-(2-Phosphonoethanimidoyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-(1-imino-2-phosphonoethyl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1204646/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 483.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 81.9±6.0 kJ/mol
Flash Point: 245.9±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 41.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.25
ACD/LogD (pH 5.5): -6.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 90.9±7.0 dyne/cm
Molar Volume: 121.4±7.0 cm3

Click to predict properties on the Chemicalize site


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