Found 1 result

Search term: PKTUIVFZYXLPEK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N~3~-(2-Hydroxyethyl)-N~3~-(2-hydroxypropyl)-N-(2-methoxy-5-nitrophenyl)-beta-alaninamide | C15H23N3O6

N3-(2-Hydroxyethyl)-N3-(2-hydroxypropyl)-N-(2-methoxy-5-nitrophenyl)-β-alaninamide

  • Molecular FormulaC15H23N3O6
  • Average mass341.360 Da
  • Monoisotopic mass341.158691 Da
  • ChemSpider ID71303383

More details:

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

N3-(2-Hydroxyethyl)-N3-(2-hydroxypropyl)-N-(2-methoxy-5-nitrophenyl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-(2-Hydroxyethyl)-N3-(2-hydroxypropyl)-N-(2-methoxy-5-nitrophenyl)-β-alaninamide [ACD/IUPAC Name]
N3-(2-Hydroxyéthyl)-N3-(2-hydroxypropyl)-N-(2-méthoxy-5-nitrophényl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(2-hydroxyethyl)(2-hydroxypropyl)amino]-N-(2-methoxy-5-nitrophenyl)- [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: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.4±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.26
Polar Surface Area: 128 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 260.0±3.0 cm3

Click to predict properties on the Chemicalize site


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