ChemSpider 2D Image | 2-Methyl-2-propanyl 4-hydroxy-4-(sulfanylmethyl)-1-piperidinecarboxylate | C11H21NO3S

2-Methyl-2-propanyl 4-hydroxy-4-(sulfanylmethyl)-1-piperidinecarboxylate

  • Molecular FormulaC11H21NO3S
  • Average mass247.354 Da
  • Monoisotopic mass247.124207 Da
  • ChemSpider ID26536832

More details:

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

1-Piperidinecarboxylic acid, 4-hydroxy-4-(mercaptomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-hydroxy-4-(sulfanylmethyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-hydroxy-4-(sulfanylmethyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Hydroxy-4-(sulfanylméthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
104940-48-9 [RN]
2-Hydroxydiphenylmethane
4-hydroxy-4-(mercaptomethyl)-1-piperidinecarboxylic acid tert-butyl ester
959701-66-7 [RN]
benzyloxybenzene;2-Benzylphenol
MFCD11618004
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 358.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.9±6.0 kJ/mol
Flash Point: 170.4±23.7 °C
Index of Refraction: 1.521
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.78
ACD/KOC (pH 5.5): 215.58
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.75
ACD/KOC (pH 7.4): 215.12
Polar Surface Area: 89 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 215.2±3.0 cm3

Click to predict properties on the Chemicalize site


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