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Substance Name: beta-Alanine, 3-phenyl-, isopentyl ester, hydrochloride, DL-
RN: 87252-95-7
InChIKey: YEABVDLUUMXUSN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Weight

  • 271.7858
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 87252-95-7

System Generated Number

  • 0087252957

Molecular Formulas

Molecular Formula

  • C14-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO2.ClH/c1-11(2)8-9-17-14(16)10-13(15)12-6-4-3-5-7-12;/h3-7,11,13H,8-10,15H2,1-2H3;1H

InChIKey

YEABVDLUUMXUSN-UHFFFAOYSA-N

Smiles

CC(C)CCOC(=O)CC(c1ccccc1)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 245mg/kg (245mg/kg)   Pharmazie. Vol. 38, Pg. 310, 1983.