ChemSpider 2D Image | N-({4-[2-(Dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl}carbonyl)-beta-alanine | C13H24N4O4

N-({4-[2-(Dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl}carbonyl)-β-alanine

  • Molecular FormulaC13H24N4O4
  • Average mass300.354 Da
  • Monoisotopic mass300.179749 Da
  • ChemSpider ID67980184

More details:

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

N-({4-[2-(Dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl}carbonyl)-β-alanin [German] [ACD/IUPAC Name]
N-({4-[2-(Dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl}carbonyl)-β-alanine [ACD/IUPAC Name]
N-({4-[2-(Diméthylamino)-2-oxoéthyl]-1,4-diazépan-1-yl}carbonyl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[4-[2-(dimethylamino)-2-oxoethyl]hexahydro-1H-1,4-diazepin-1-yl]carbonyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 298.6±30.1 °C
Index of Refraction: 1.524
Molar Refractivity: 76.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 249.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement