ChemSpider 2D Image | (2S)-2-Carbamimidamidobutanoic acid | C5H11N3O2

(2S)-2-Carbamimidamidobutanoic acid

  • Molecular FormulaC5H11N3O2
  • Average mass145.160 Da
  • Monoisotopic mass145.085129 Da
  • ChemSpider ID67166724

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Carbamimidamidobutanoic acid [ACD/IUPAC Name]
(2S)-2-Carbamimidamidobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-carbamimidamidobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[(aminoiminomethyl)amino]-, (2S)- [ACD/Index Name]
(s)-2-guanidino butyric acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 290.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.3±6.0 kJ/mol
Flash Point: 129.6±27.9 °C
Index of Refraction: 1.562
Molar Refractivity: 34.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 104.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement