ChemSpider 2D Image | N-(Carboxymethyl)-N-[(4-isopropoxyphenyl)sulfonyl]-beta-alanine | C14H19NO7S

N-(Carboxymethyl)-N-[(4-isopropoxyphenyl)sulfonyl]-β-alanine

  • Molecular FormulaC14H19NO7S
  • Average mass345.368 Da
  • Monoisotopic mass345.088226 Da
  • ChemSpider ID59148930

More details:

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

N-(Carboxymethyl)-N-[(4-isopropoxyphenyl)sulfonyl]-β-alanin [German] [ACD/IUPAC Name]
N-(Carboxymethyl)-N-[(4-isopropoxyphenyl)sulfonyl]-β-alanine [ACD/IUPAC Name]
N-(Carboxyméthyl)-N-[(4-isopropoxyphényl)sulfonyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-(carboxymethyl)-N-[[4-(1-methylethoxy)phenyl]sulfonyl]- [ACD/Index 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: 577.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.2±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 251.1±3.0 cm3

Click to predict properties on the Chemicalize site


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