ChemSpider 2D Image | TERT-BUTYL N-[(3S)-1-(2-HYDROXYETHYL)PIPERIDIN-3-YL]-N-METHYLCARBAMATE | C13H26N2O3

TERT-BUTYL N-[(3S)-1-(2-HYDROXYETHYL)PIPERIDIN-3-YL]-N-METHYLCARBAMATE

  • Molecular FormulaC13H26N2O3
  • Average mass258.357 Da
  • Monoisotopic mass258.194336 Da
  • ChemSpider ID28299170

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-1-(2-Hydroxyéthyl)-3-pipéridinyl]méthylcarbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1354019-36-5 [RN]
2-Methyl-2-propanyl [(3S)-1-(2-hydroxyethyl)-3-piperidinyl]methylcarbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S)-1-(2-hydroxyethyl)-3-piperidinyl]methylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S)-1-(2-hydroxyethyl)-3-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
TERT-BUTYL N-[(3S)-1-(2-HYDROXYETHYL)PIPERIDIN-3-YL]-N-METHYLCARBAMATE
(S)-tert-Butyl (1-(2-hydroxyethyl)piperidin-3-yl)(methyl)carbamate
[(S)-1-(2-Hydroxyethyl)piperidin-3-yl]methylcarbamic acid tert-butyl ester
[(S)-1-(2-Hydroxyethyl)piperidin-3-yl]-methyl-carbamic acid tert-butyl ester
[(S)-1-(2-Hydroxy-ethyl)-piperidin-3-yl]-methyl-carbamic acid tert-butyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 358.4±35.0 °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: 170.6±25.9 °C
Index of Refraction: 1.508
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 3.88
ACD/KOC (pH 7.4): 65.45
Polar Surface Area: 53 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 239.3±5.0 cm3

Click to predict properties on the Chemicalize site


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