rel-1,1-Dimethylethyl (1R,4R,5S)-5-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

CAS Registry Number®

1638771-38-6
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CAS Name

rel-1,1-Dimethylethyl (1R,4R,5S)-5-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

Molecular Formula

C12H22N2O2

Molecular Mass

226.32

Cite this Page

rel-1,1-Dimethylethyl (1R,4R,5S)-5-amino-2-azabicyclo[2.2.2]octane-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1638771-38-6 (retrieved 2024-08-04) (CAS RN: 1638771-38-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C12H22N2O2/c1-12(2,3)16-11(15)14-7-8-4-5-9(14)6-10(8)13/h8-10H,4-7,13H2,1-3H3/t8-,9-,10+/s2

InChIKey

InChIKey=SIFPHPJZXMHDLP-DSXMZJPENA-N

SMILES

C(OC(C)(C)C)(=O)N1[C@@]2(C[C@@H](N)[C@](C1)(CC2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)C)N1CC2CCC1CC2N

Other Names for this Substance

  • 2-Azabicyclo[2.2.2]octane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, (1R,4R,5S)-rel-
  • rel-1,1-Dimethylethyl (1R,4R,5S)-5-amino-2-azabicyclo[2.2.2]octane-2-carboxylate