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Substance Name: Benzenemethanamine, alpha-phenyl-, benzoate
RN: 171507-42-9
InChIKey: DOQMECUKKWWDJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N.C7-H6-O2

Molecular Weight

  • 305.3751
 
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Names and Synonyms

Synonym

  • alpha-Phenylbenzenemethanamine benzoate

Systematic Name

  • Benzenemethanamine, alpha-phenyl-, benzoate

Registry Numbers

CAS Registry Number

  • 171507-42-9

System Generated Number

  • 0171507429

Molecular Formulas

Molecular Formula

  • C13-H13-N.C7-H6-O2

Molecular Formula Fragments

  • C13-H13-N
  • C7-H6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13N.C7H6O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h1-10,13H,14H2;1-5H,(H,8,9)

InChIKey

DOQMECUKKWWDJV-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)N.c1ccc(cc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 163, 1994.