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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
 
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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.