ChemSpider 2D Image | 7-Amino-2-(sulfanylmethyl)heptanoic acid | C8H17NO2S

7-Amino-2-(sulfanylmethyl)heptanoic acid

  • Molecular FormulaC8H17NO2S
  • Average mass191.291 Da
  • Monoisotopic mass191.097992 Da
  • ChemSpider ID28639896

More details:

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

7-Amino-2-(sulfanylmethyl)heptanoic acid [ACD/IUPAC Name]
7-Amino-2-(sulfanylmethyl)heptansäure [German] [ACD/IUPAC Name]
Acide 7-amino-2-(sulfanylméthyl)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 7-amino-2-(mercaptomethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 327.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.6±6.0 kJ/mol
Flash Point: 151.9±26.5 °C
Index of Refraction: 1.513
Molar Refractivity: 52.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 173.3±3.0 cm3

Click to predict properties on the Chemicalize site


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