1,1-Dimethylethyl (βS)-β-aminobenzenebutanoate

CAS Registry Number®

120686-17-1
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CAS Name

1,1-Dimethylethyl (βS)-β-aminobenzenebutanoate

Molecular Formula

C14H21NO2

Molecular Mass

235.32

Cite this Page

1,1-Dimethylethyl (βS)-β-aminobenzenebutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120686-17-1 (retrieved 2024-09-06) (CAS RN: 120686-17-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    30-31 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H21NO2/c1-14(2,3)17-13(16)10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3/t12-/m0/s1

InChIKey

InChIKey=ZIJHIHDFXCNFAA-LBPRGKRZSA-N

SMILES

C([C@@H](CC(OC(C)(C)C)=O)N)C1=CC=CC=C1

Canonical SMILES

O=C(OC(C)(C)C)CC(N)CC=1C=CC=CC1

Other Names for this Substance

  • Benzenebutanoic acid, β-amino-, 1,1-dimethylethyl ester, (βS)-
  • Benzenebutanoic acid, β-amino-, 1,1-dimethylethyl ester, (S)-
  • 1,1-Dimethylethyl (βS)-β-aminobenzenebutanoate
  • tert-Butyl (S)-3-amino-4-phenylbutanoate
  • tert-Butyl (3S)-3-amino-4-phenylbutanoate