ChemSpider 2D Image | 4-[Bis(2-chloroethyl)amino]-2-iodophenylalanine | C13H17Cl2IN2O2

4-[Bis(2-chloroethyl)amino]-2-iodophenylalanine

  • Molecular FormulaC13H17Cl2IN2O2
  • Average mass431.097 Da
  • Monoisotopic mass429.971161 Da
  • ChemSpider ID64882009

More details:

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

4-[Bis(2-chlorethyl)amino]-2-iodphenylalanin [German] [ACD/IUPAC Name]
4-[Bis(2-chloroethyl)amino]-2-iodophenylalanine [ACD/IUPAC Name]
4-[Bis(2-chloroéthyl)amino]-2-iodophénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, 4-[bis(2-chloroethyl)amino]-2-iodo- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.74
Polar Surface Area: 67 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 253.3±3.0 cm3

Click to predict properties on the Chemicalize site


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