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Substance Name: beta-Alanine, 3-phenyl-, hexyl ester, hydrochloride, DL-
RN: 87252-90-2
InChIKey: JFTVBCYMCNSFRR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N-O2.Cl-H

Molecular Weight

  • 285.8126
 
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Names and Synonyms

Synonyms

  • Benzenepropanoic acid, beta-amino-, hexyl ester, hydrochloride, (+-)-
  • DL-3-Phenyl-beta-alanine hexyl ester hydrochloride

Systematic Name

  • beta-Alanine, 3-phenyl-, hexyl ester, hydrochloride, DL-

Registry Numbers

CAS Registry Number

  • 87252-90-2

System Generated Number

  • 0087252902

Molecular Formulas

Molecular Formula

  • C15-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23NO2.ClH/c1-2-3-4-8-11-18-15(17)12-14(16)13-9-6-5-7-10-13;/h5-7,9-10,14H,2-4,8,11-12,16H2,1H3;1H

InChIKey

JFTVBCYMCNSFRR-UHFFFAOYSA-N

Smiles

CCCCCCOC(=O)CC(c1ccccc1)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 112mg/kg (112mg/kg)   Pharmazie. Vol. 38, Pg. 310, 1983.