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Substance Name: 3,4-Xylidine, 6-(beta-carboxypropionyl)-, hydrochloride, hydrate
RN: 91641-63-3
InChIKey: DONYIQDWONRJTL-UHFFFAOYSA-N

Molecular Formula

  • C12-H15-N-O3.Cl-H.H2-O

Molecular Weight

  • 275.7302
 
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Names and Synonyms

Synonym

  • 2-beta-Carboxypropionyl-4,5-dimethylaniline hydrochloride, hydrate

Systematic Name

  • 3,4-Xylidine, 6-(beta-carboxypropionyl)-, hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 91641-63-3

System Generated Number

  • 0091641633

Molecular Formulas

Molecular Formula

  • C12-H15-N-O3.Cl-H.H2-O

Molecular Formula Fragments

  • C12-H15-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C12H15NO3.ClH.H2O/c1-7-5-9(10(13)6-8(7)2)11(14)3-4-12(15)16;;/h5-6H,3-4,13H2,1-2H3,(H,15,16);1H;1H2

InChIKey

DONYIQDWONRJTL-UHFFFAOYSA-N

Smiles

O.Cl.Cc1cc(N)c(cc1C)C(=O)CCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 1234, 1962.