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Substance Name: 2-Aminoanthraquinone
RN: 117-79-3
UNII: 65Z03V2Z09
InChIKey: XOGPDSATLSAZEK-UHFFFAOYSA-N

Molecular Formula

  • C14-H9-N-O2

Molecular Weight

  • 223.23
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reasonably Anticipated to be a Carcinogen

Names and Synonyms

Name of Substance

  • 2-Aminoanthraquinone

Synonyms

  • 2-Amino-9,10-anthracenedione
  • 2-Amino-9,10-anthraquinone
  • 2-Aminoanthraquinone
  • 9,10-Anthracenedione, 2-amino-
  • AI3-09063
  • Aminoanthraquinone
  • beta-Anthraquinonylamine
  • CCRIS 23
  • EINECS 204-208-4
  • HSDB 4088
  • NCI-C01876
  • NSC 5
  • UNII-65Z03V2Z09

Systematic Names

  • 2-Amino-9,10-anthracenedione
  • 2-Aminoanthraquinone
  • 9,10-Anthracenedione, 2-amino-
  • Anthraquinone, 2-amino-

Superlist Names

  • 2-Aminoanthraquinone
  • 9,10-Anthracenedione, 2-amino-

Registry Numbers

CAS Registry Number

  • 117-79-3

FDA UNII

  • 65Z03V2Z09

System Generated Number

  • 0000117793

Structure Descriptors

InChI

1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2

InChIKey

XOGPDSATLSAZEK-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C1=O)=O)ccc(c2)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(12), Pg. 27, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 304.5 deg C   EXP
log P (octanol-water) 3.31 (none)   EXP
Water Solubility 0.163 mg/L 25 EXP
Vapor Pressure 5.00E-11 mm Hg 25 EXP
Henry's Law Constant 9.19E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.21E-11 cm3/molecule-sec 25 EST

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