ChemSpider 2D Image | (3S)-4-Amino-3-(5-methyl-2-thienyl)butanoic acid | C9H13NO2S

(3S)-4-Amino-3-(5-methyl-2-thienyl)butanoic acid

  • Molecular FormulaC9H13NO2S
  • Average mass199.270 Da
  • Monoisotopic mass199.066696 Da
  • ChemSpider ID23147332

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-Amino-3-(5-methyl-2-thienyl)butanoic acid [ACD/IUPAC Name]
(3S)-4-Amino-3-(5-methyl-2-thienyl)butansäure [German] [ACD/IUPAC Name]
2-Thiophenepropanoic acid, β-(aminomethyl)-5-methyl-, (βS)- [ACD/Index Name]
Acide (3S)-4-amino-3-(5-méthyl-2-thiényl)butanoïque [French] [ACD/IUPAC Name]
(3S)-4-amino-3-(5-methylthiophen-2-yl)butanoic acid
4-Amino-3-(5-methyl-thiophen-2-yl)-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL299439/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 353.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 167.7±27.9 °C
Index of Refraction: 1.581
Molar Refractivity: 53.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 160.1±3.0 cm3

Click to predict properties on the Chemicalize site


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