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Home > Product > Heterocyclic Organic Compounds > 3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]]octane p-toluenesulfonate

3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]]octane p-toluenesulfonate | CAS Number: 423165-08-6

Catalog Number
ACM423165086
Product Name
3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]]octane p-toluenesulfonate
Structure
CAS Number
423165-08-6
IUPAC Name
4-methylbenzenesulfonic acid;3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
Synonyms
3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane-p-toluenesulfonate
Molecular Weight
406.5422
Exact Mass
406.20400
Molecular Formula
C13H22N4.C7H8O3S
Boiling Point
402.4ºC at 760 mmHg
Flash Point
197.1ºC
Purity
96%
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NN=C(N1C2CC3CCC(C2)N3)C(C)C
InChIKey
BVRVOZLPVSXSLY-UHFFFAOYSA-N
H-Bond Donor
2
H-Bond Acceptor
6
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