ChemSpider 2D Image | N-(2-Acetamidoethyl)-N-{[(carboxymethyl)sulfanyl]acetyl}alanine | C11H18N2O6S

N-(2-Acetamidoethyl)-N-{[(carboxymethyl)sulfanyl]acetyl}alanine

  • Molecular FormulaC11H18N2O6S
  • Average mass306.335 Da
  • Monoisotopic mass306.088562 Da
  • ChemSpider ID54418167

More details:

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

Alanine, N-[2-(acetylamino)ethyl]-N-[2-[(carboxymethyl)thio]acetyl]- [ACD/Index Name]
N-(2-Acetamidoethyl)-N-{[(carboxymethyl)sulfanyl]acetyl}alanin [German] [ACD/IUPAC Name]
N-(2-Acetamidoethyl)-N-{[(carboxymethyl)sulfanyl]acetyl}alanine [ACD/IUPAC Name]
N-(2-Acétamidoéthyl)-N-{2-[(carboxyméthyl)sulfanyl]acétyl}alanine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 337.1±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 71.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 224.0±3.0 cm3

Click to predict properties on the Chemicalize site


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