ChemSpider 2D Image | 5-[(2S)-2-{[(4-Aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid | C19H28N2O5

5-[(2S)-2-{[(4-Aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC19H28N2O5
  • Average mass364.436 Da
  • Monoisotopic mass364.199829 Da
  • ChemSpider ID35033946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[(2S)-2-[[(4-amino-1-oxobutyl)amino]methyl]-4-methylpentyl]- [ACD/Index Name]
5-[(2S)-2-{[(4-Aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(2S)-2-{[(4-Aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(2S)-2-{[(4-aminobutanoyl)amino]méthyl}-4-méthylpentyl]-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
K1T

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 97.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 111 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 304.9±3.0 cm3

Click to predict properties on the Chemicalize site


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