ChemSpider 2D Image | N-{4-[Bis(2-chloroethyl)amino]benzoyl}glutamic acid | C16H20Cl2N2O5

N-{4-[Bis(2-chloroethyl)amino]benzoyl}glutamic acid

  • Molecular FormulaC16H20Cl2N2O5
  • Average mass391.246 Da
  • Monoisotopic mass390.074921 Da
  • ChemSpider ID10709877

More details:

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

Acide N-{4-[bis(2-chloroéthyl)amino]benzoyl}glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[4-[bis(2-chloroethyl)amino]benzoyl]- [ACD/Index Name]
N-{4-[Bis(2-chlorethyl)amino]benzoyl}glutaminsäure [German] [ACD/IUPAC Name]
N-{4-[Bis(2-chloroethyl)amino]benzoyl}glutamic acid [ACD/IUPAC Name]
2-{4-[Bis-(2-chloro-ethyl)-amino]-benzoylamino}-pentanedioic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL347189/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 348.3±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 279.2±3.0 cm3

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