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Substance Name: Nipecotic acid
RN: 498-95-3
UNII: 1U1QTN40SY
InChIKey: XJLSEXAGTJCILF-UHFFFAOYSA-N

Molecular Formula

  • C6-H11-N-O2

Molecular Weight

  • 129.158
 
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Names and Synonyms

Name of Substance

  • Nipecotic acid

Synonyms

  • EINECS 207-873-9
  • UNII-1U1QTN40SY

Systematic Name

  • Piperidine-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 498-95-3

FDA UNII

  • 1U1QTN40SY

System Generated Number

  • 0000498953

Structure Descriptors

InChI

1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)

InChIKey

XJLSEXAGTJCILF-UHFFFAOYSA-N

Smiles

OC(=O)[C@@H]1CNCCC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 261 dec deg C   EXP
pKa Dissociation Constant 3.45 (none)   EXP
log P (octanol-water) -2.89E+00 (none)   EXP
Water Solubility 2.32E+05 mg/L 25 EST
Vapor Pressure 1.75E-09 mm Hg 25 EST
Henry's Law Constant 1.28E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.99E-11 cm3/molecule-sec 25 EST

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