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Substance Name: 1-Isobenzofuranmethanamine, 1,3-dihydro-N,N,3-trimethyl-, cis-trans mixture
RN: 95965-62-1
InChIKey: AYUITXXCWNDFJE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O

Molecular Weight

  • 191.272
 
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Names and Synonyms

Synonyms

  • 1,3-Dihydro-N,N,3-trimethyl-1-isobenzofuranmethanamine (cis-trans mixture)
  • 1-(N,N-Dimethylaminomethyl)-3-phenyl-1,3-dihydroisobenzofuran
  • BRN 4415927

Systematic Name

  • 1-Isobenzofuranmethanamine, 1,3-dihydro-N,N,3-trimethyl-, cis-trans mixture

Registry Numbers

CAS Registry Number

  • 95965-62-1

System Generated Number

  • 0095965621

Structure Descriptors

InChI

1S/C12H17NO/c1-9-10-6-4-5-7-11(10)12(14-9)8-13(2)3/h4-7,9,12H,8H2,1-3H3

InChIKey

AYUITXXCWNDFJE-UHFFFAOYSA-N

Smiles

c12[C@@H](O[C@@H](c1cccc2)C)CN(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 23, Pg. 1261, 1984.