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Substance Name: Methyl nicotinate [USAN]
RN: 93-60-7
UNII: 7B1AVU9DJN
InChIKey: YNBADRVTZLEFNH-UHFFFAOYSA-N

Note

  • Erythema provoked is basis of a methylnicotinate test of anti-inflammatories.

Molecular Formula

  • C7-H7-N-O2

Molecular Weight

  • 137.137
 
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Names and Synonyms

Name of Substance

  • 3-Pyridinecarboxylic acid, methyl ester
  • Methyl 3-pyridinecarboxylate
  • Methyl nicotinate
  • Methyl nicotinate [USAN]
  • Nicotinic acid, methyl ester

Synonyms

  • 3-(Carbomethoxy)pyridine
  • 3-(Methoxycarbonyl)pyridine
  • 3-Pyridinecarboxylic acid, methyl ester
  • 5-22-02-00059 (Beilstein Handbook Reference)
  • AI3-19241
  • BRN 0113951
  • EINECS 202-261-8
  • FEMA No. 3709
  • Heat spray
  • m-(Methoxycarbonyl)pyridine
  • Methyl 3-pyridinecarboxylate
  • Methyl nicotinate
  • Methyl-nicotinate
  • Nicometh
  • Nicotinic acid, methyl ester
  • Nikomet
  • NSC 13126
  • UNII-7B1AVU9DJN

Systematic Names

  • 3-Pyridinecarboxylic acid, methyl ester
  • Methyl nicotinate
  • Nicotinic acid, methyl ester

Superlist Name

  • Methyl nicotinate

Registry Numbers

CAS Registry Number

  • 93-60-7

FDA UNII

  • 7B1AVU9DJN

Other Registry Number

  • 123574-61-8

System Generated Number

  • 0000093607

Structure Descriptors

InChI

1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3

InChIKey

YNBADRVTZLEFNH-UHFFFAOYSA-N

Smiles

c1(C(OC)=O)cccnc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 1gm/kg (1000mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 428, 1948.
mouse LDLo parenteral 2gm/kg (2000mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 691, 1955.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 42.5 deg C   EXP
Boiling Point 204 deg C   EXP
pKa Dissociation Constant 3.13 (none) 22 EXP
log P (octanol-water) 0.83 (none)   EXP
Water Solubility 4.76E+04 mg/L 20 EXP
Vapor Pressure 0.277 mm Hg 25 EST
Henry's Law Constant 4.54E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.36E-13 cm3/molecule-sec 25 EST

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