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Substance Name: Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate
RN: 63680-06-8
InChIKey: FEBFADAXZUGEPB-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-N4-O2-S.H2-O4-S

Molecular Weight

  • 338.364
 
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Names and Synonyms

Synonyms

  • 1-(p-Nitrophenyl)-2-(2-aminoethyl)isothiouronium sulfate
  • Pseudourea, 2-thio-, 1-(p-nitrophenyl)-2-(2-aminoethyl)-, sulfate
  • USAF B-80

Systematic Name

  • Pseudourea, 2-(2-aminoethyl)-1-(p-nitrophenyl)-2-thio-, hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 63680-06-8

System Generated Number

  • 0063680068

Molecular Formulas

Molecular Formula

  • C9-H12-N4-O2-S.H2-O4-S

Molecular Formula Fragments

  • C9-H12-N4-O2-S
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C9H12N4O2S.H2O4S/c10-5-6-16-9(11)12-7-1-3-8(4-2-7)13(14)15;1-5(2,3)4/h1-4H,5-6,10H2,(H2,11,12);(H2,1,2,3,4)

InChIKey

FEBFADAXZUGEPB-UHFFFAOYSA-N

Smiles

[N+](c1ccc(\N=C(/SCCN)N)cc1)([O-])=O.S(=O)(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   National Technical Information Service. Vol. AD277-689,