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Substance Name: Benzoic acid, 4-((1-(carboxymethyl)propyl)amino)-3,5-dinitro-2-methyl-
RN: 127971-58-8
InChIKey: ICCWTSJUEGQTHG-UHFFFAOYSA-N

Molecular Formula

  • C13-H15-N3-O8

Molecular Weight

  • 341.2745
 
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Names and Synonyms

Synonyms

  • 4-((1-(Carboxymethyl)propyl)amino)-2-methyl-3,5-dinitrobenzoic acid
  • 4-((1-(Carboxymethyl)propyl)amino)-3,5-dinitro-2-methylbenzoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127971-58-8

System Generated Number

  • 0127971588

Structure Descriptors

InChI

1S/C13H15N3O8/c1-3-7(4-10(17)18)14-11-9(15(21)22)5-8(13(19)20)6(2)12(11)16(23)24/h5,7,14H,3-4H2,1-2H3,(H,17,18)(H,19,20)

InChIKey

ICCWTSJUEGQTHG-UHFFFAOYSA-N

Smiles

CCC(CC(=O)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 > 5gm/kg (5000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 38, Pg. 1743, 1990.