3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]]octane p-toluenesulfonate

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Catalog Number

ACM423165086

Product Name

Structure

CAS

423165-08-6

Category

Heterocyclic Organic Compound

Synonyms

3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane-p-toluenesulfonate

IUPAC Name

4-methylbenzenesulfonic acid;3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Molecular Weight

406.5422

Molecular Formula

C₁₃H₂₂N₄.C₇H₈O₃S

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NN=C(N1C2CC3CCC(C2)N3)C(C)C

InChI Key

BVRVOZLPVSXSLY-UHFFFAOYSA-N

Boiling Point

402.4ºC at 760 mmHg

Flash Point

197.1ºC

Exact Mass

406.20400

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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