1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1)

CAS Registry Number®

1192651-80-1
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CAS Name

1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1)

Molecular Formula

C16H36N.C7H10N3O6S

Cite this Page

1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1192651-80-1 (retrieved 2024-09-08) (CAS RN: 1192651-80-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180.3-182.4 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H36N.C7H11N3O6S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h5-16H2,1-4H3;4-5H,1-3H2,(H2,8,11)(H,13,14,15)/q+1;/p-1/t;4-,5+/m.1/s1

InChIKey

InChIKey=QPZBFPHXHQWBHR-SJGICDGZSA-M

SMILES

C(N)(=O)[C@H]1[N@@]2C(=O)N(OS(=O)(=O)[O-])[C@@](C2)(CC1)[H].[N+](CCCC)(CCCC)(CCCC)CCCC

Canonical SMILES

O=C1N(OS(=O)(=O)[O-])C2CN1C(C(=O)N)CC2.CCCC[N+](CCCC)(CCCC)CCCC

Other Names for this Substance

  • 1-Butanaminium, N,N,N-tributyl-, (1R,2S,5R)-2-(aminocarbonyl)-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl sulfate (1:1)