Product Name

  • Name

    1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthraquinone

  • EINECS 282-169-2
  • CAS No. 84100-90-3
  • Density 1.699 g/cm3
  • Solubility
  • Melting Point
  • Formula C20H14N2O6
  • Boiling Point 813.1 °C at 760 mmHg
  • Molecular Weight 378.33
  • Flash Point 445.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 84100-90-3 (1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthraquinone)
  • Hazard Symbols
  • Synonyms 1,5-Diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthracene-9,10-dione;1,5-Diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthraquinone;
  • PSA 167.10000
  • LogP 3.27820

9,10-Anthracenedione,1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxy- Specification

The 9,10-Anthracenedione,1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxy-, with the CAS registry number 84100-90-3, is also known as 1,5-Diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthraquinone. Its EINECS number is 282-169-2. This chemical's molecular formula is C20H14N2O6 and molecular weight is 378.33. What's more, its systematic name is 1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthracene-9,10-dione.

Physical properties of 9,10-Anthracenedione,1,5-diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxy- are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 351.63; (6)ACD/BCF (pH 7.4): 2.72; (7)ACD/KOC (pH 5.5): 2068.98; (8)ACD/KOC (pH 7.4): 15.99; (9)#H bond acceptors: 8; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 77.54 Å2; (13)Index of Refraction: 1.847; (14)Molar Refractivity: 99.25 cm3; (15)Molar Volume: 222.6 cm3; (16)Polarizability: 39.34×10-24cm3; (17)Surface Tension: 111.6 dyne/cm; (18)Density: 1.699 g/cm3; (19)Flash Point: 445.6 °C; (20)Enthalpy of Vaporization: 122.29 kJ/mol; (21)Boiling Point: 813.1 °C at 760 mmHg; (22)Vapour Pressure: 1.55E-27 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C3C(=C2N)C(=O)C4=C(C=CC(=C4C3=O)N)O)O)O)O
(2)InChI: InChI=1S/C20H14N2O6/c21-9-2-4-11(24)15-14(9)19(27)16-13(26)6-8(18(22)17(16)20(15)28)7-1-3-10(23)12(25)5-7/h1-6,23-26H,21-22H2
(3)InChIKey: PZFWXFIOPGAEJT-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View