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Structure

(1-Methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl2-cyclopropyl-2-hydroxy-2-phenylacetate chloride

CAS
101710-93-4
Catalog Number
ACM101710934
Category
Other Products
Molecular Weight
337.841 g/mol
Molecular Formula
C18H24ClNO3

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Specification

Synonyms
alpha-Cyclopropylmandelic acid (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester HCl, Mandelic acid, alpha-cyclopropyl-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester, hydrochloride, AC1L1PSM, AC1Q1SHE, LS-89109, (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate chloride, 101710-93-4, 4-({[cyclopropyl(hydroxy)phenylacetyl]oxy}methyl)-1-methyl-1,2,3,6-tetrahydropyridinium chloride
IUPAC Name
(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate;chloride
Canonical SMILES
C[NH+]1CCC(=CC1)COC(=O)C(C2CC2)(C3=CC=CC=C3)O.[Cl-]
InChI Key
VNKAUVLRVFHBCJ-UHFFFAOYSA-N
Boiling Point
445.1ºC at 760 mmHg
Flash Point
223ºC
Exact Mass
337.14400
H-Bond Acceptor
4
H-Bond Donor
2
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