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Substance Name: Ammonium, hexamethylenebis(trimethyl-, bis(p-nitrobenzoate)
RN: 103052-17-1
InChIKey: ABFPILRCTJLYDT-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H30-N2.2C7-H4-N-O4

Molecular Weight

  • 534.606
 
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Names and Synonyms

Synonym

  • Hexamethylenebis(trimethylammonium p-nitrobenzoate)

Systematic Name

  • Ammonium, hexamethylenebis(trimethyl-, bis(p-nitrobenzoate)

Registry Numbers

CAS Registry Number

  • 103052-17-1

System Generated Number

  • 0103052171

Molecular Formulas

Molecular Formula

  • C12-H30-N2.2C7-H4-N-O4

Molecular Formula Fragments

  • C12-H30-N2
  • C7-H4-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H30N2.2C7H5NO4/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*9-7(10)5-1-3-6(4-2-5)8(11)12/h7-12H2,1-6H3;2*1-4H,(H,9,10)/q+2;;/p-2

InChIKey

ABFPILRCTJLYDT-UHFFFAOYSA-L

Smiles

c1(ccc([N+](=O)[O-])cc1)C(=O)[O-].c1(ccc([N+](=O)[O-])cc1)C(=O)[O-].C(CCCCC[N+](C)(C)C)[N+](C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 138mg/kg (138mg/kg)   Farmakologiya i Toksikologiya Vol. 24, Pg. 3, 1961.