ChemSpider 2D Image | 3-(1H-Pyrazol-1-yl)-D-alanine | C6H9N3O2

3-(1H-Pyrazol-1-yl)-D-alanine

  • Molecular FormulaC6H9N3O2
  • Average mass155.155 Da
  • Monoisotopic mass155.069473 Da
  • ChemSpider ID26000626

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-2-Amino-3-pyrazol-1-yl-propionic acid
149655-71-0 [RN]
3-(1H-Pyrazol-1-yl)-D-alanin [German] [ACD/IUPAC Name]
3-(1H-Pyrazol-1-yl)-D-alanine [ACD/IUPAC Name]
3-(1H-Pyrazol-1-yl)-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-(1H-pyrazol-1-yl)- [ACD/Index Name]
(2R)-2-AMINO-3-(1H-PYRAZOL-1-YL)PROPANOIC ACID
(2R)-2-AMINO-3-(PYRAZOL-1-YL)PROPANOIC ACID
1H-Pyrazole-1-propanoic acid, α-amino-, (αR)-
3-(1H-Pyrazole-1-yl)-D-alanine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 342.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 161.1±26.5 °C
Index of Refraction: 1.631
Molar Refractivity: 38.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 107.4±7.0 cm3

Click to predict properties on the Chemicalize site


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