ChemSpider 2D Image | 4-Amino-2-{[(2S)-2,4-diaminobutanoyl]amino}butanoic acid | C8H18N4O3

4-Amino-2-{[(2S)-2,4-diaminobutanoyl]amino}butanoic acid

  • Molecular FormulaC8H18N4O3
  • Average mass218.253 Da
  • Monoisotopic mass218.137894 Da
  • ChemSpider ID23188387
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

4-Amino-2-{[(2S)-2,4-diaminobutanoyl]amino}butanoic acid [ACD/IUPAC Name]
4-Amino-2-{[(2S)-2,4-diaminobutanoyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-amino-2-{[(2S)-2,4-diaminobutanoyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-amino-2-[[(2S)-2,4-diamino-1-oxobutyl]amino]- [ACD/Index Name]
4-Amino-2-((S)-2,4-diamino-butyrylamino)-butyric acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 281.9±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.27
ACD/LogD (pH 5.5): -6.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 172.9±3.0 cm3

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