(9-Methyl-9-azoniabicyclo[3.3.1]nonan-7-yl)2-cyclopentyl-2-hydroxy-2-phenylacetate; 4-methylbenzenesulfonate

Catalog Number

ACM101710843

Product Name

(9-Methyl-9-azoniabicyclo[3.3.1]nonan-7-yl)2-cyclopentyl-2-hydroxy-2-phenylacetate; 4-methylbenzenesulfonate

Structure

CAS

101710-84-3

Category

Heterocyclic Organic Compound

Synonyms

9-Methyl-3-alpha-granatanyl phenylcyclopentylglycolate-p-toluene-sulfonate, Mandelic acid, alpha-cyclopentyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-alpha-yl ester, p-toluenesulfonate, AC1L1PRJ, AC1Q22ML, LS-89090, (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate; 4-methylbenzenesulfonate, 101710-84-3, 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-9-methyl-9-azoniabicyclo[3.3.1]nonane 4-methylbenzenesulfonate

IUPAC Name

(9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;4-methylbenzenesulfonate

Molecular Weight

529.688 g/mol

Molecular Formula

C₂₉H₃₉NO₆S

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+]1C2CCCC1CC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

InChI Key

CEIUXLKAIQCBFX-UHFFFAOYSA-N

Boiling Point

490.1ºC at 760 mmHg

Flash Point

250.2ºC

Exact Mass

529.25000

H-Bond Acceptor

6

H-Bond Donor

2

MSDS

COA

Spec Sheet