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Substance Name: 1,2-Benzenediol, 4,4'-(iminodi-2,1-ethanediyl)bis-, hydrochloride, hydrate (4:4:1)
ID: CZ90015000
InChIKey: XAZJLEGIVZJNOB-UHFFFAOYSA-N

Molecular Formula

  • C16-H19-N-O4.Cl-H.1/4H2-O

Molecular Weight

  • 1321.1748
 
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Names and Synonyms

Synonyms

  • 3,4,3',4'-Tetrahydroxy-di(beta-phenylethyl)amine hydrochloride hydrate (4:4:1)
  • 4,4'-(Iminodi-2,1-ethanediyl)bis(1,2-benzenediol) hydrochloride hydrate (4:4:1)

Systematic Name

  • 1,2-Benzenediol, 4,4'-(iminodi-2,1-ethanediyl)bis-, hydrochloride, hydrate (4:4:1)

Registry Numbers

ID Number

  • NIOSH/CZ9001500

System Generated Number

  • CZ90015000

Molecular Formulas

Molecular Formula

  • C16-H19-N-O4.Cl-H.1/4H2-O

Molecular Formula Fragments

  • C16-H19-N-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/4C16H19NO4.4ClH.H2O/c4*18-13-3-1-11(9-15(13)20)5-7-17-8-6-12-2-4-14(19)16(21)10-12;;;;;/h4*1-4,9-10,17-21H,5-8H2;4*1H;1H2

InChIKey

XAZJLEGIVZJNOB-UHFFFAOYSA-N

Smiles

O.Cl.Cl.Cl.Cl.Oc1ccc(CCNCCc2ccc(O)c(O)c2)cc1O.Oc3ccc(CCNCCc4ccc(O)c(O)c4)cc3O.Oc5ccc(CCNCCc6ccc(O)c(O)c6)cc5O.Oc7ccc(CCNCCc8ccc(O)c(O)c8)cc7O