ChemSpider 2D Image | (3-{3-[(Cyanoacetyl)amino]-1-propyn-1-yl}benzyl)phosphonic acid | C13H13N2O4P

(3-{3-[(Cyanoacetyl)amino]-1-propyn-1-yl}benzyl)phosphonic acid

  • Molecular FormulaC13H13N2O4P
  • Average mass292.227 Da
  • Monoisotopic mass292.061279 Da
  • ChemSpider ID91131106

More details:






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

(3-{3-[(Cyanacetyl)amino]-1-propin-1-yl}benzyl)phosphonsäure [German] [ACD/IUPAC Name]
(3-{3-[(Cyanoacetyl)amino]-1-propyn-1-yl}benzyl)phosphonic acid [ACD/IUPAC Name]
Acide (3-{3-[(2-cyanoacétyl)amino]-1-propyn-1-yl}benzyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[3-[3-[(2-cyanoacetyl)amino]-1-propyn-1-yl]phenyl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 70.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -4.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 207.1±5.0 cm3

Click to predict properties on the Chemicalize site






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