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3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester

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  • Name 3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester
  • EINECSN/A
  • CAS No. 132521-82-5
  • Density1.142 g/cm3
  • PSA42.43000
  • LogP1.92350
  • SolubilityN/A
  • Melting Point70 °C
  • FormulaC12H16N2O2
  • Boiling Point364.5 °C at 760 mmHg
  • Molecular Weight220.27
  • Flash Point174.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 132521-82-5 (METHYL 6-PIPERIDINONICOTINATE)
  • Hazard SymbolsN/A
  • SynonymsN/A

3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester Specification

The 3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester, with the CAS registry number 132521-82-5, is also known as Methyl 6-piperidinonicotinate. This chemical's molecular formula is C12H16N2O2 and molecular weight is 220.27. What's more, its systematic name is methyl 6-piperidin-1-ylpyridine-3-carboxylate.

Physical properties of 3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 24.48; (7)ACD/KOC (pH 5.5): 27.85; (8)ACD/KOC (pH 7.4): 328.59; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 60.93 cm3; (15)Molar Volume: 192.8 cm3; (16)Polarizability: 24.15×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 174.2 °C; (20)Enthalpy of Vaporization: 61.07 kJ/mol; (21)Boiling Point: 364.5 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cnc(cc1)N2CCCCC2
(2)InChI: InChI=1S/C12H16N2O2/c1-16-12(15)10-5-6-11(13-9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
(3)InChIKey: UJSPHYCMAZIKQD-UHFFFAOYSA-N

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