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4-Hydroxy-4(2-hydroxymethylphenyl)-1-piperidine carboxylat

  • Name 4-Hydroxy-4(2-hydroxymethylphenyl)-1-piperidine carboxylat
  • EINECSN/A
  • CAS No. 71546-51-5
  • Density1.241 g/cm3
  • PSA70.00000
  • LogP1.55670
  • SolubilityN/A
  • Melting Point113-114 °C(Solv: ethyl acetate (141-78-6))
  • FormulaC15H21NO4
  • Boiling Point449.719 °C at 760 mmHg
  • Molecular Weight279.336
  • Flash Point225.782 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 71546-51-5 (4-hydroxy-4(2-hydroxymethylphenyl)-1-piperidine carboxylat)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

4-Hydroxy-4(2-hydroxymethylphenyl)-1-piperidine carboxylat Specification

The CAS registry number of 1-Piperidinecarboxylic acid, 4-hydroxy-4-[2-(hydroxymethyl)phenyl]-,ethyl ester is 71546-51-5. In addition, the molecular formula is C15H21NO4 and the molecular weight is 279.33. Its systematic name is ethyl 4-hydroxy-4-[2-(hydroxymethyl)phenyl]piperidine-1-carboxylate. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1-Piperidinecarboxylic acid, 4-hydroxy-4-[2-(hydroxymethyl)phenyl]-,ethyl ester are: (1)ACD/LogP: 0.56; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 65; (7)ACD/KOC (pH 7.4): 65; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 70 Å2; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 74.6 cm3; (14)Molar Volume: 225.054 cm3; (15)Polarizability: 29.574 ×10-24cm3; (16)Surface Tension: 55.803 dyne/cm; (17)Density: 1.241 g/cm3; (18)Flash Point: 225.782 °C; (19)Enthalpy of Vaporization: 74.659 kJ/mol; (20)Boiling Point: 449.719 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)N2CCC(O)(c1ccccc1CO)CC2
(2)Std. InChI: InChI=1S/C15H21NO4/c1-2-20-14(18)16-9-7-15(19,8-10-16)13-6-4-3-5-12(13)11-17/h3-6,17,19H,2,7-11H2,1H3
(3)Std. InChIKey: VQYJOTHYMNZSGB-UHFFFAOYSA-N

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