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Substance Name: Dipicolinic acid
RN: 499-83-2
UNII: UE81S5CQ0G
InChIKey: WJJMNDUMQPNECX-UHFFFAOYSA-N

Classification Codes

  • Chelating Agents
  • Enzyme Inhibitors
  • Sequestering Agents

Molecular Formula

  • C7-H5-N-O4

Molecular Weight

  • 167.1195
 
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Names and Synonyms

Name of Substance

  • Dipicolinic acid

Synonyms

  • 2,6-Dipicolinic acid
  • Dipicolinate
  • Dipicolinic acid
  • EINECS 207-894-3
  • NSC 176
  • UNII-UE81S5CQ0G

Systematic Name

  • 2,6-Pyridinedicarboxylic acid

Superlist Name

  • 2,6-Pyridinedicarboxylic acid

Registry Numbers

CAS Registry Number

  • 499-83-2

FDA UNII

  • UE81S5CQ0G

Related Registry Numbers

  • 17956-40-0 (di-hydrochloride salt)
  • 4220-17-1 (mono-hydrochloride salt)
  • 63450-91-9 (di-potassium salt)

System Generated Number

  • 0000499832

Structure Descriptors

InChI

1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)

InChIKey

WJJMNDUMQPNECX-UHFFFAOYSA-N

Smiles

c1(nc(ccc1)C(O)=O)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 249 dec deg C   EXP
pKa Dissociation Constant 2.16 (none) 30 EXP
log P (octanol-water) 0.570 (none)   EST
Water Solubility 5000 mg/L 25 EXP
Vapor Pressure 6.10E-06 mm Hg 25 EST
Henry's Law Constant 2.86E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-12 cm3/molecule-sec 25 EST

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