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Substance Name: 3,4-Diaminobenzoic acid
RN: 619-05-6
UNII: 2H2G880K12
InChIKey: HEMGYNNCNNODNX-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N2-O2

Molecular Weight

  • 152.152
 
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Names and Synonyms

Results Name

  • 3,4-Diaminobenzoic acid

Name of Substance

  • 3,4-Diaminobenzoic acid
  • Benzoic acid, 3,4-diamino-

Synonyms

  • EINECS 210-577-2
  • UNII-2H2G880K12

Systematic Name

  • 3,4-Diaminobenzoic acid

Registry Numbers

CAS Registry Number

  • 619-05-6

FDA UNII

  • 2H2G880K12

System Generated Number

  • 0000619056

Structure Descriptors

InChI

InChI=1S/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11)

InChIKey

HEMGYNNCNNODNX-UHFFFAOYSA-N

Smiles

Nc1ccc(cc1N)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 216.5 dec deg C   EXP
pKa Dissociation Constant 3.49 (none) 25 EXP
log P (octanol-water) 0.13 (none)   EXP
Water Solubility 5.75E+04 mg/L 25 EST
Vapor Pressure 9.56E-06 mm Hg 25 EST
Henry's Law Constant 1.35E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.58E-11 cm3/molecule-sec 25 EST

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