rel-1,1-Dimethylethyl (3R,5S)-4-(chlorocarbonyl)-3,5-dimethyl-1-piperazinecarboxylate

CAS Registry Number®

438050-53-4
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CAS Name

rel-1,1-Dimethylethyl (3R,5S)-4-(chlorocarbonyl)-3,5-dimethyl-1-piperazinecarboxylate

Molecular Formula

C12H21ClN2O3

Molecular Mass

276.76

Cite this Page

rel-1,1-Dimethylethyl (3R,5S)-4-(chlorocarbonyl)-3,5-dimethyl-1-piperazinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=438050-53-4 (retrieved 2024-06-26) (CAS RN: 438050-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C12H21ClN2O3/c1-8-6-14(11(17)18-12(3,4)5)7-9(2)15(8)10(13)16/h8-9H,6-7H2,1-5H3/t8-,9+

InChIKey

InChIKey=XQYJANFHPUJZBR-DTORHVGONA-N

SMILES

C(Cl)(=O)N1[C@H](C)CN(C(OC(C)(C)C)=O)C[C@@H]1C

Canonical SMILES

O=C(Cl)N1C(C)CN(C(=O)OC(C)(C)C)CC1C

Other Names for this Substance

  • 1-Piperazinecarboxylic acid, 4-(chlorocarbonyl)-3,5-dimethyl-, 1,1-dimethylethyl ester, (3R,5S)-rel-
  • rel-1,1-Dimethylethyl (3R,5S)-4-(chlorocarbonyl)-3,5-dimethyl-1-piperazinecarboxylate

Deleted or Replaced CAS Registry Numbers

2360540-52-7, 2360540-58-3, 3014421-23-6

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