3-Pyridinecarboxylic acid, pentyl ester

CAS Registry Number®

49558-04-5

CAS Name

3-Pyridinecarboxylic acid, pentyl ester

Molecular Formula

C11H15NO2

Molecular Mass

193.24

Cite this Page

3-Pyridinecarboxylic acid, pentyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49558-04-5 (retrieved 2024-11-22) (CAS RN: 49558-04-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    262 °C

  • Density (2)

    1.0217 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H15NO2/c1-2-3-4-8-14-11(13)10-6-5-7-12-9-10/h5-7,9H,2-4,8H2,1H3

InChIKey

InChIKey=SYIRQWIOOCVBTC-UHFFFAOYSA-N

SMILES

C(OCCCCC)(=O)C=1C=CC=NC1

Canonical SMILES

O=C(OCCCCC)C=1C=NC=CC1

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, pentyl ester
  • Nicotinic acid, pentyl ester
  • Amyl nicotinate
  • Pentyl 3-pyridinecarboxylate
  • Isonicotinic acid amyl ester

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