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Substance Name: Benzenamine, 2-((hexahydro-1H-azepin-1-yl)sulfonyl)-, sulfate (1:1)
RN: 1078722-76-5
InChIKey: XETAPMFLIGSEAD-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C12-H18-N2-O2-S.H2-O4-S

Molecular Weight

  • 352.43
 
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Names and Synonyms

  • Benzenamine, 2-((hexahydro-1H-azepin-1-yl)sulfonyl)-, sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 1078722-76-5

System Generated Number

  • 1078722765

Structure Descriptors

InChI

1S/C12H18N2O2S.H2O4S/c13-11-7-3-4-8-12(11)17(15,16)14-9-5-1-2-6-10-14;1-5(2,3)4/h3-4,7-8H,1-2,5-6,9-10,13H2;(H2,1,2,3,4)

InChIKey

XETAPMFLIGSEAD-UHFFFAOYSA-N

Smiles

Nc1ccccc1S(=O)(=O)N2CCCCCC2.OS(=O)(=O)O