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Substance Name: N-Ethylnicotinamide
RN: 4314-66-3
InChIKey: ZXOAHASJYIUCBG-UHFFFAOYSA-N

Note

  • Metabolite of NIKETHAMIDE.

Molecular Formula

  • C8-H10-N2-O

Molecular Weight

  • 150.18
 
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Names and Synonyms

Name of Substance

  • N-Ethylnicotinamide

Synonyms

  • 5-22-02-00083 (Beilstein Handbook Reference)
  • BRN 0122945
  • EINECS 224-331-7
  • N-Ethyl-3-pyridinecarboxamide
  • N-Ethylnicotinamide
  • N-Monoethylnicotinamide
  • Nicotinic acid ethylamide
  • Nicotinic acid monoethylamide
  • NSC 62008

Systematic Names

  • 3-Pyridinecarboxamide, N-ethyl- (9CI)
  • N-Ethylnicotinamide
  • Nicotinamide, N-ethyl-

Registry Numbers

CAS Registry Number

  • 4314-66-3

System Generated Number

  • 0004314663

Structure Descriptors

InChI

1S/C8H10N2O/c1-2-10-8(11)7-4-3-5-9-6-7/h3-6H,2H2,1H3,(H,10,11)

InChIKey

ZXOAHASJYIUCBG-UHFFFAOYSA-N

Smiles

n1cc(C(=O)NCC)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo unreported 1500mg/kg (1500mg/kg)   Cancer Research. Vol. 22, Pg. 483, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.31 (none)   EXP
Water Solubility 4.12E+04 mg/L 25 EST
Vapor Pressure 9.11E-05 mm Hg 25 EST
Henry's Law Constant 8.45E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.83E-12 cm3/molecule-sec 25 EST

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