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Home> Encyclopedia > Hot Product Listed 6   > 6,13(7H,14H)-Triphenodithiazinedione,3,10-dichloro-
52136-25-1 structure

6,13(7H,14H)-Triphenodithiazinedione,3,10-dichloro-

Iupac Name:2-[4-[bis(2-hydroxyethyl)amino]anilino]-5-(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
CAS No.:52136-25-1
Molecular Weight:361.398
Molecular Formula:C20H25NO4 (isomer)
Names and Identifiers
Synonyms

AntinoloBrown G C.I. 56017

Inchi
InChI=1S/C18H23N3O5/c22-8-5-19-15-11-18(26)16(12-17(15)25)20-13-1-3-14(4-2-13)21(6-9-23)7-10-24/h1-4,11-12,19-20,22-24H,5-10H2
InChkey
BZYZOJIGZUACMS-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1NC2=CC(=O)C(=CC2=O)NCCO)N(CCO)CCO
Properties
Boiling Point
608.7ºC at 760 mmHg
Refractive Index
1.652
Flash Point
160.3°C
Computational chemical data
  • Molecular Weight:361.398g/mol
  • Molecular Formula:C20H25NO4
  • Compound Is Canonicalized:True
  • Exact Mass:361.164
  • Monoisotopic Mass:361.164
  • Complexity:547
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:122A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQCAAACAzhkAYwwIPAAgCI AKRSQACCAAAhAgAIiICIZMgKMCLAkbGEIAhgkADYyccQAAAAAACAAAAAAAAAAQAAAAAAAAAAAAAA AA==
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