1-(3-Pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate), 95%

cas: 1185063-46-0 — see every product listed under this CAS number, including other names

1-(3-Pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate), 95% (CAS 1185063-46-0) is a chemical reagent available from Chemat. Available pack sizes: 25g, 10g, 50g, 5g, 1g. Offered by: Combi-blocks.

• 2D
• 3D

Tris(4-methylbenzenesulfonic acid);1-(pyridin-3-ylmethyl)-1,4-diazepane (CAS 1185063-46-0) is a chemical compound with the molecular formula C32H41N3O9S3 and a molecular weight of 707.9 g/mol. IUPAC name: tris(4-methylbenzenesulfonic acid);1-(pyridin-3-ylmethyl)-1,4-diazepane. InChIKey: KWPLTHBDKWRXAX-UHFFFAOYSA-N.

Identity

Molecular formula	C32H41N3O9S3
Molecular weight	707.9 g/mol
IUPAC name	tris(4-methylbenzenesulfonic acid);1-(pyridin-3-ylmethyl)-1,4-diazepane
InChIKey	KWPLTHBDKWRXAX-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCN(C1)CC2=CN=CC=C2

Computed by PubChem (NCBI)

Synonyms: 1-(3-Pyridinylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate), 1-(Pyridin-3-ylmethyl)-1,4-diazepane tris(4-methylbenzenesulfonate), 4-methylbenzenesulfonic acid;1-(pyridin-3-ylmethyl)-1,4-diazepane, 4-methylbenzenesulfonic acid;1-(3-pyridylmethyl)-1,4-diazepane, 1-(Pyridin-3-ylmethyl)-1,4-diazepanetris(4-methylbenzenesulfonate), 1-(Pyridin-3-ylmethyl)-1,4-diazepane tris(p-toluenesulfonate), AldrichCPR

Isomers (same molecular formula)

tris(4-methylbenzenesulfonic acid);1-(pyridin-4-ylmethyl)-1,4-diazepane C₃₂H₄₁N₃O₉S₃

tris(4-methylbenzenesulfonic acid);1-(pyridin-2-ylmethyl)-1,4-diazepane C₃₂H₄₁N₃O₉S₃