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Substance Name: Arecaidine
RN: 499-04-7
UNII: 0S8YEV0D4O
InChIKey: DNJFTXKSFAMXQF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H11-N-O2

Molecular Weight

  • 141.1689
 
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Names and Synonyms

Name of Substance

  • Arecaidine

Synonyms

  • 1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid
  • 5-22-01-00322 (Beilstein Handbook Reference)
  • Arecaidine
  • Arecaine
  • BRN 0112366
  • Methylguvacine
  • N-Methylguvacine
  • NSC 76017
  • UNII-0S8YEV0D4O

Systematic Names

  • 1,2,5,6-Tetrahydro-1-methylnicotinic acid
  • 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl- (9CI)
  • Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-

Registry Numbers

CAS Registry Number

  • 499-04-7

FDA UNII

  • 0S8YEV0D4O

System Generated Number

  • 0000499047

Structure Descriptors

InChI

1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)

InChIKey

DNJFTXKSFAMXQF-UHFFFAOYSA-N

Smiles

C=1(C[N@@](CCC1)C)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 232 dec deg C   EXP
log P (octanol-water) -1.210 (none)   EST
Atmospheric OH Rate Constant 1.19E-10 cm3/molecule-sec 25 EST

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