ChemSpider 2D Image | N-DESMETHYLBENDAMUSTINE | C15H19Cl2N3O2

N-DESMETHYLBENDAMUSTINE

  • Molecular FormulaC15H19Cl2N3O2
  • Average mass344.236 Da
  • Monoisotopic mass343.085419 Da
  • ChemSpider ID52083635

More details:

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

1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]- [ACD/Index Name]
4-{5-[Bis(2-chlorethyl)amino]-1H-benzimidazol-2-yl}butansäure [German] [ACD/IUPAC Name]
4-{5-[Bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl}butanoic acid [ACD/IUPAC Name]
41515-13-3 [RN]
Acide 4-{5-[bis(2-chloroéthyl)amino]-1H-benzimidazol-2-yl}butanoïque [French] [ACD/IUPAC Name]
N-desmethyl Bendamustine
N-DESMETHYLBENDAMUSTINE
6-[bis(2-chloroethyl)amino]-1H-benzimidazole-2-butanoic acid

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

542SRM4E31 [DBID]
UNII:542SRM4E31 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.7±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 69 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 249.3±3.0 cm3

Click to predict properties on the Chemicalize site


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