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Substance Name: Benzoic acid, 3,5-dinitro-4-((1-ethyl-2-hydroxypropyl)amino)-2-methyl-
RN: 127971-57-7
InChIKey: HEGGKPOLCPEWLI-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-N3-O7

Molecular Weight

  • 327.2913
 
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Names and Synonyms

Synonyms

  • 3,5-Dinitro-4-((1-ethyl-2-hydroxypropyl)amino)-2-methylbenzoic acid
  • 4-((1-Ethyl-2-hydroxypropyl)amino)-2-methyl-3,5-dinitrobenzoic acid

Systematic Name

  • Benzoic acid, 3,5-dinitro-4-((1-ethyl-2-hydroxypropyl)amino)-2-methyl-

Registry Numbers

CAS Registry Number

  • 127971-57-7

System Generated Number

  • 0127971577

Structure Descriptors

InChI

1S/C13H17N3O7/c1-4-9(7(3)17)14-11-10(15(20)21)5-8(13(18)19)6(2)12(11)16(22)23/h5,7,9,14,17H,4H2,1-3H3,(H,18,19)

InChIKey

HEGGKPOLCPEWLI-UHFFFAOYSA-N

Smiles

CCC(C(C)O)Nc1c(cc(c(c1[N+](=O)[O-])C)C(=O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1650mg/kg (1650mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 38, Pg. 1743, 1990.