ChemSpider 2D Image | (2S)-4-(beta-Alanylamino)-2-aminobutanoic acid | C7H15N3O3

(2S)-4-(β-Alanylamino)-2-aminobutanoic acid

  • Molecular FormulaC7H15N3O3
  • Average mass189.212 Da
  • Monoisotopic mass189.111343 Da
  • ChemSpider ID25057781
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-4-(β-Alanylamino)-2-aminobutanoic acid [ACD/IUPAC Name]
(2S)-4-(β-Alanylamino)-2-aminobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-4-(β-alanylamino)-2-aminobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[(3-amino-1-oxopropyl)amino]-, (2S)- [ACD/Index Name]
(2S)-2-amino-4-(3-aminopropanamido)butanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 491.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 251.3±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.41
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 152.4±3.0 cm3

Click to predict properties on the Chemicalize site






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