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Substance Name: NSC 39940
RN: 82-24-6
UNII: 413N4ED0PF
InChIKey: MMKNBFSDCOALQO-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H9-N-O4

Molecular Weight

  • 267.239
 
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Names and Synonyms

Results Name

  • NSC 39940

Name of Substance

  • 1-Aminoanthraquinone-2-carboxylic acid

Synonyms

  • 1-Amino-2-carboxyanthraquinone
  • 1-Amino-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid
  • 1-Aminoanthraquinone-2-carboxylic acid
  • 2-Anthraquinonecarboxylic acid, 1-amino-
  • 4-14-00-02591 (Beilstein Handbook Reference)
  • BRN 2219360
  • EINECS 201-406-2
  • NSC 39940
  • UNII-413N4ED0PF

Systematic Names

  • 1-Amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid
  • 2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-9,10-dioxo-
  • 2-Anthracenecarboxylic acid, 9,10-dihydro-1-amino-9,10-dioxo-
  • 2-Anthroic acid, 1-amino-9,10-dihydro-9,10-dioxo- (8CI)

Registry Numbers

CAS Registry Number

  • 82-24-6

FDA UNII

  • 413N4ED0PF

System Generated Number

  • 0000082246

Structure Descriptors

InChI

1S/C15H9NO4/c16-12-10(15(19)20)6-5-9-11(12)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2,(H,19,20)

InChIKey

MMKNBFSDCOALQO-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C1=O)=O)ccc(c2N)C(O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 295-296 deg C   EXP
log P (octanol-water) 3.810 (none)   EST
Water Solubility 0.814 mg/L 25 EST
Vapor Pressure 6.23E-10 mm Hg 25 EST
Henry's Law Constant 2.26E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.66E-11 cm3/molecule-sec 25 EST

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