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Substance Name: Pipecolic acid
RN: 535-75-1
UNII: H254GW7PVV
InChIKey: HXEACLLIILLPRG-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H11-N-O2

Molecular Weight

  • 129.158
 
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Names and Synonyms

Name of Substance

  • Pipecolic acid

Synonyms

  • 2-Piperidinecarboxylic acid
  • Acide pipecolique
  • Acide pipecolique [French]
  • Acide piperidine-carboxylique-2
  • Acide piperidine-carboxylique-2 [French]
  • Dihydrobaikiane
  • EINECS 208-616-3
  • EINECS 223-737-1
  • Hexahydropicolinic acid
  • Homoproline
  • NSC 17125
  • Pipecolate
  • Pipecolic acid
  • Pipecolinic acid
  • Piperolinic acid
  • UNII-H254GW7PVV

Systematic Names

  • 2-Piperidinecarboxylic acid
  • Pipecolic acid

Registry Numbers

CAS Registry Number

  • 535-75-1

FDA UNII

  • H254GW7PVV

Other Registry Number

  • 4043-87-2

Related Registry Number

  • 69470-51-5 (mono-potassium salt)

System Generated Number

  • 0000535751

Structure Descriptors

InChI

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

InChIKey

HXEACLLIILLPRG-UHFFFAOYSA-N

Smiles

C1[C@@H](NCCC1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 610mg/kg (610mg/kg)   Clinical and Experimental Pharmacology and Physiology. Vol. 21, Pg. 997, 1994.
mouse LD50 intravenous 2200mg/kg (2200mg/kg)   Therapie. Vol. 23, Pg. 1343, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 264 deg C   EXP
pKa Dissociation Constant 2.36 (none)   EXP
log P (octanol-water) -2.31E+00 (none)   EXP
Water Solubility 7.41E+04 mg/L 25 EST
Vapor Pressure 1.75E-09 mm Hg 25 EST
Henry's Law Constant 2.55E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.51E-11 cm3/molecule-sec 25 EST

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