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Substance Name: 1,5-Diaminoanthraquinone
RN: 129-44-2
UNII: 3ZXX3HK358
InChIKey: VWBVCOPVKXNMMZ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C14-H10-N2-O2

Molecular Weight

  • 238.245
 
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Names and Synonyms

Name of Substance

  • 1,5-Diaminoanthraquinone

Synonyms

  • 1,5-Anthraquinonyldiamine
  • 1,5-Daa
  • 1,5-Daa [Russian]
  • 1,5-Diamino-9,10-anthraquinone
  • 1,5-Diaminoanthrachinon
  • 1,5-Diaminoanthrachinon [Czech]
  • 1,5-Diaminoanthraquinone
  • 4-14-00-00479 (Beilstein Handbook Reference)
  • BRN 2215892
  • C.I. Disperse Red II
  • CCRIS 5609
  • EINECS 204-947-2
  • NSC 63791
  • NSC 7213
  • Smoke Red F
  • UNII-3ZXX3HK358

Systematic Names

  • 1,5-Diaminoanthraquinone
  • 9,10-Anthracenedione, 1,5-diamino-
  • Anthraquinone, 1,5-diamino-

Registry Numbers

CAS Registry Number

  • 129-44-2

FDA UNII

  • 3ZXX3HK358

Other Registry Number

  • 168681-31-0

System Generated Number

  • 0000129442

Structure Descriptors

InChI

1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2

InChIKey

VWBVCOPVKXNMMZ-UHFFFAOYSA-N

Smiles

c12c(C(c3c(cccc3C1=O)N)=O)cccc2N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1300mg/kg (1300mg/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 319 deg C   EXP
log P (octanol-water) 3.710 (none)   EST
Atmospheric OH Rate Constant 8.27E-11 cm3/molecule-sec 25 EST

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