1,1-Dimethylethyl 4-ethynylhexahydro-4-hydroxy-1H-azepine-1-carboxylate

CAS Registry Number®

1408076-13-0
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CAS Name

1,1-Dimethylethyl 4-ethynylhexahydro-4-hydroxy-1H-azepine-1-carboxylate

Molecular Formula

C13H21NO3

Molecular Mass

239.31

Cite this Page

1,1-Dimethylethyl 4-ethynylhexahydro-4-hydroxy-1H-azepine-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1408076-13-0 (retrieved 2024-09-08) (CAS RN: 1408076-13-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H21NO3/c1-5-13(16)7-6-9-14(10-8-13)11(15)17-12(2,3)4/h1,16H,6-10H2,2-4H3

InChIKey

InChIKey=BAMZOOMIXOXMGB-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1CCC(C#C)(O)CCC1

Canonical SMILES

O=C(OC(C)(C)C)N1CCCC(O)(C#C)CC1

Other Names for this Substance

  • 1H-Azepine-1-carboxylic acid, 4-ethynylhexahydro-4-hydroxy-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-ethynylhexahydro-4-hydroxy-1H-azepine-1-carboxylate