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Substance Name: Nicodan
RN: 7681-15-4
UNII: 80CZF4GX8N
InChIKey: CLAOCVVWIKGTOP-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-N-O2

Molecular Weight

  • 165.191
 
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Names and Synonyms

Name of Substance

  • Nicodan

Synonyms

  • AI3-15767
  • EINECS 231-662-0
  • Nicodan
  • Nicodan percutan
  • Nicotinic acid, propyl ester
  • NSC 78447
  • Propyl nicotinate
  • UNII-80CZF4GX8N

Systematic Names

  • 3-Pyridinecarboxylic acid, propyl ester (9CI)
  • Nicotinic acid, propyl ester (8CI)
  • Propyl nicotinate

Registry Numbers

CAS Registry Number

  • 7681-15-4

FDA UNII

  • 80CZF4GX8N

System Generated Number

  • 0007681154

Structure Descriptors

InChI

1S/C9H11NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3

InChIKey

CLAOCVVWIKGTOP-UHFFFAOYSA-N

Smiles

c1(C(OCCC)=O)cccnc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.94 (none)   EXP
Water Solubility 9500 mg/L 25 EXP
Vapor Pressure 0.026 mm Hg 25 EST
Henry's Law Constant 8.01E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.27E-12 cm3/molecule-sec 25 EST

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