3-Oxa-6-azabicyclo[3.1.1]heptane, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

1414860-36-8
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CAS Name

3-Oxa-6-azabicyclo[3.1.1]heptane, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C7H8O3S.C5H9NO

Cite this Page

3-Oxa-6-azabicyclo[3.1.1]heptane, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1414860-36-8 (retrieved 2024-07-07) (CAS RN: 1414860-36-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146-148 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H8O3S.C5H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-2-7-3-5(1)6-4/h2-5H,1H3,(H,8,9,10);4-6H,1-3H2

InChIKey

InChIKey=LNDVYWDVZUQJSB-UHFFFAOYSA-N

SMILES

C12CC(N1)COC2.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=S(=O)(O)C1=CC=C(C=C1)C.O1CC2NC(C1)C2

Other Names for this Substance

  • 3-Oxa-6-azabicyclo[3.1.1]heptane, 4-methylbenzenesulfonate (1:1)
  • 3-Oxa-6-azabicyclo[3.1.1]heptane; 4-methylbenzene-1-sulfonic acid
  • 3-Oxa-6-azabicyclo[3.1.1]heptane 4-methylbenzenesulfonate