ChemSpider 2D Image | 3-[Bis(2-chloroethyl)amino]-D-phenylalanine | C13H18Cl2N2O2

3-[Bis(2-chloroethyl)amino]-D-phenylalanine

  • Molecular FormulaC13H18Cl2N2O2
  • Average mass305.200 Da
  • Monoisotopic mass304.074524 Da
  • ChemSpider ID58827698

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1088-78-4 [RN]
3-[Bis(2-chlorethyl)amino]-D-phenylalanin [German] [ACD/IUPAC Name]
3-[Bis(2-chloroethyl)amino]-D-phenylalanine [ACD/IUPAC Name]
3-[Bis(2-chloroéthyl)amino]-D-phénylalanine [French] [ACD/IUPAC Name]
D-Phenylalanine, 3-[bis(2-chloroethyl)amino]- [ACD/Index Name]
METAMELFALAN, (R)-

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

TLG1R90DOW [DBID]
UNII:TLG1R90DOW [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 243.9±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 78.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 231.2±3.0 cm3

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