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Substance Name: beta-Alanine, N-ethyl-N-phenyl-, methyl ester
RN: 21608-06-0
InChIKey: AGKYCLGMYBHGSV-UHFFFAOYSA-N

Molecular Formula

  • C12-H17-N-O2

Molecular Weight

  • 207.271
 
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Names and Synonyms

Synonym

  • EINECS 244-471-2

Systematic Names

  • beta-Alanine, N-ethyl-N-phenyl-, methyl ester
  • Methyl N-ethyl-N-phenyl-beta-alaninate

Registry Numbers

CAS Registry Number

  • 21608-06-0

System Generated Number

  • 0021608060

Structure Descriptors

InChI

1S/C12H17NO2/c1-3-13(10-9-12(14)15-2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3

InChIKey

AGKYCLGMYBHGSV-UHFFFAOYSA-N

Smiles

O=C(OC)CCN(c1ccccc1)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0539601,
rat LD50 oral 2450mg/kg (2450mg/kg)   National Technical Information Service. Vol. OTS0539601,