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Substance Name: Ethylnicotinate
RN: 614-18-6
UNII: NIJ3H353YH
InChIKey: XBLVHTDFJBKJLG-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.164
 
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Names and Synonyms

Name of Substance

  • Ethylnicotinate

Synonyms

  • 3-(Ethoxycarbonyl)pyridine
  • 3-Carbethoxypyridine
  • 3-Pyridinecarboxylic acid, ethyl ester
  • AI3-02579
  • Ba 2673
  • beta-Pyridinecarboxylic acid ethyl ester
  • EINECS 210-370-7
  • Ethyl 3-pyridinecarboxylate
  • Ethyl nicotinate
  • Ethyl-nicotinate
  • Ignicut
  • Ignocut
  • Mucotherm
  • Nicaethan
  • Nicotinic acid,ethyl ester
  • Nikethan
  • Nikithan
  • NSC 8872
  • UNII-NIJ3H353YH

Systematic Names

  • 3-Pyridinecarboxylic acid, ethyl ester
  • Ethyl nicotinate
  • Nicotinic acid, ethyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 614-18-6

FDA UNII

  • NIJ3H353YH

Other Registry Number

  • 123574-71-0

System Generated Number

  • 0000614186

Structure Descriptors

InChI

1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3

InChIKey

XBLVHTDFJBKJLG-UHFFFAOYSA-N

Smiles

O=C(OCC)c1cccnc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 8.5 deg C   EXP
Boiling Point 224 deg C   EXP
pKa Dissociation Constant 3.35 (none) 20 EXP
log P (octanol-water) 1.32 (none)   EXP
Water Solubility 5.60E+04 mg/L 25 EXP
Vapor Pressure 0.084 mm Hg 25 EST
Henry's Law Constant 6.03E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.