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63-75-2

63-75-2 structural image
Product Name: arecoline
Formula: C8H13NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 209 °C
Melting Point < 25 °C
Solubility 1000000 mg/L (at 25 °C)
LogP 0.35
LogS 0.81
Dissociation Constants 7.64
Kovats Retention Index 1195

COMPUTED DESCRIPTORS

Molecular Weight 155.19 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 155.094628657 g/mol
Monoisotopic Mass 155.094628657 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 187
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Arecoline is a tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. It has a role as a muscarinic agonist and a metabolite. It is a tetrahydropyridine, an enoate ester, a pyridine alkaloid and a methyl ester.