ChemSpider 2D Image | Benzyl[(2R)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid | C18H22Cl2NO3P

Benzyl[(2R)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid

  • Molecular FormulaC18H22Cl2NO3P
  • Average mass402.252 Da
  • Monoisotopic mass401.071442 Da
  • ChemSpider ID57643594

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide benzyl[(2R)-3-{[(1S)-1-(3,4-dichlorophényl)éthyl]amino}-2-hydroxypropyl]phosphinique [French] [ACD/IUPAC Name]
Benzyl[(2R)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid [ACD/IUPAC Name]
Benzyl[(2R)-3-{[(1S)-1-(3,4-dichlorphenyl)ethyl]amino}-2-hydroxypropyl]phosphinsäure [German] [ACD/IUPAC Name]
Phosphinic acid, P-[(2R)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]-P-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.70
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.22
Polar Surface Area: 79 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 302.0±3.0 cm3

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