Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Amino-2-naphthoic acid
RN: 5959-52-4
UNII: IV5Z0PHL5D
InChIKey: XFXOLBNQYFRSLQ-UHFFFAOYSA-N

Molecular Formula

  • C11-H9-N-O2

Molecular Weight

  • 187.197
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Amino-2-naphthoic acid

Synonyms

  • 2-Amino-3-carboxynaphthalene
  • 2-Amino-3-naphthoic acid
  • 3-14-00-01341 (Beilstein Handbook Reference)
  • 3-Amino-2-naphthalenecarboxylic acid
  • 3-Amino-2-naphthoic acid
  • 3-Aminoisonaphthoic acid
  • BRN 0744099
  • EINECS 227-726-2
  • NSC 37061
  • UNII-IV5Z0PHL5D

Systematic Names

  • 2-Naphthalenecarboxylic acid, 3-amino-
  • 2-Naphthoic acid, 3-amino-
  • 3-Amino-2-naphthoic acid

Registry Numbers

CAS Registry Number

  • 5959-52-4

FDA UNII

  • IV5Z0PHL5D

System Generated Number

  • 0005959524

Structure Descriptors

InChI

1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)

InChIKey

XFXOLBNQYFRSLQ-UHFFFAOYSA-N

Smiles

c12c(cc(N)c(c1)C(O)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1840, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 216.5 deg C   EXP
log P (octanol-water) 2.540 (none)   EST
Water Solubility 345 mg/L 25 EST
Vapor Pressure 1.48E-06 mm Hg 25 EST
Henry's Law Constant 3.74E-12 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.