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Substance Name: Benzoic acid, 3,5-dinitro-4-((1-ethylpropyl)amino)-2-methyl-
RN: 127971-53-3
InChIKey: OYOCXOGNLMMZMC-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-N3-O6

Molecular Weight

  • 311.2923
 
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Names and Synonyms

Synonym

  • 3,5-Dinitro-4-((1-ethylpropyl)amino)-2-methylbenzoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127971-53-3

System Generated Number

  • 0127971533

Structure Descriptors

InChI

1S/C13H17N3O6/c1-4-8(5-2)14-11-10(15(19)20)6-9(13(17)18)7(3)12(11)16(21)22/h6,8,14H,4-5H2,1-3H3,(H,17,18)

InChIKey

OYOCXOGNLMMZMC-UHFFFAOYSA-N

Smiles

CCC(CC)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 1440mg/kg (1440mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 38, Pg. 1743, 1990.