1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

1427173-49-6
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CAS Name

1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C12H22N2O2.C7H8O3S

Cite this Page

1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1427173-49-6 (retrieved 2024-09-07) (CAS RN: 1427173-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H22N2O2.C7H8O3S/c1-11(2,3)16-10(15)14-8-5-12(6-9-14)4-7-13-12;1-6-2-4-7(5-3-6)11(8,9)10/h13H,4-9H2,1-3H3;2-5H,1H3,(H,8,9,10)

InChIKey

InChIKey=PQOBUOIHPLNISH-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1CCC2(CC1)CCN2.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(OC(C)(C)C)N1CCC2(NCC2)CC1.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • 1,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, 4-methylbenzenesulfonate (1:1)