Ethyl (βS)-β-amino-1,3-benzodioxole-5-propanoate

CAS Registry Number®

149520-09-2
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CAS Name

Ethyl (βS)-β-amino-1,3-benzodioxole-5-propanoate

Molecular Formula

C12H15NO4

Molecular Mass

237.25

Cite this Page

Ethyl (βS)-β-amino-1,3-benzodioxole-5-propanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149520-09-2 (retrieved 2024-07-06) (CAS RN: 149520-09-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15NO4/c1-2-15-12(14)6-9(13)8-3-4-10-11(5-8)17-7-16-10/h3-5,9H,2,6-7,13H2,1H3/t9-/m0/s1

InChIKey

InChIKey=CUMDNQXYGSSDHW-VIFPVBQESA-N

SMILES

[C@@H](CC(OCC)=O)(N)C=1C=C2C(=CC1)OCO2

Canonical SMILES

O=C(OCC)CC(N)C1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole-5-propanoic acid, β-amino-, ethyl ester, (βS)-
  • 1,3-Benzodioxole-5-propanoic acid, β-amino-, ethyl ester, (S)-
  • Ethyl (βS)-β-amino-1,3-benzodioxole-5-propanoate