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Arecoline

CAT: 1596-AR-A02439-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02439-01Size:10 Units
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CAS Number
63-75-2
Synonyms
Arecolin, NSC 56321, Methylarecaidine, Methyl arecaidin, Arecaidine Methyl Ester, Methyl N-methyl-1,2,5,6-tetrahydronicotinate, methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate, NICOTINICACID,1,2,5,6-TETRAHYDRO-1-METHYL-, METHYLESTER,1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid methyl,1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic Acid Methyl Ester,1-Methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic Acid Methyl Ester,1-Methyl-1,2,5,6-tertrahydro-pyridine-3-carboxylicacid methyl ester.
Molecular Formula
C8H13NO2
Molecular Weight
155.2
API Name
Arecoline

Chemical Information

Arecoline

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 metabolite and a muscarinic agonist. It is a methyl ester, a pyridine alkaloid, a tetrahydropyridine and an enoate ester.

CAS Number63-75-2
PubChem CID2230
IUPAC Namemethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Molecular FormulaC8H13NO2
Molecular Weight155.19
XLogP0.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity187
SMILES
CN1CCC=C(C1)C(=O)OC
InChI
InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
InChIKey
HJJPJSXJAXAIPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arecoline
CAS: 63-75-2
CID: 2230
Formula: C8H13NO2
MW: 155.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.19
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass155.094628657
Monoisotopic Mass155.094628657
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes