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Arecaidine

CAT: 1596-AR-A02436-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02436-02Size:25 Units
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CAS Number
499-04-7
Synonyms
Arecaine, NSC 76017, arecaidine, methylguvacine, N-methylguvacine, ARECAIDINE BUT-2-YNYL ESTER TOSYLATE,1,2,5,6-tetrahydro-1-methyl-nicotinicaci, NICOTINICACID,1,2,5,6-TETRAHYDRO,1-METHYL-,1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid,1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxylicaci,1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxylicacid,1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid,1,2,5,6-Tetrahydro-1-methylpyridine-3-carboxylic acid,1,2,5,6-Tetrahydro-1-methyl-3-pyridinecarboxylic acid but-2-ynyl ester tosylate, N-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID BUT-2-YNYL ESTER TOSYLATE
Molecular Formula
C7H11NO2
Molecular Weight
141.17
API Name
Arecaidine

Chemical Information

Arecaidine

Arecaidine is a citraconoyl group.

CAS Number499-04-7
PubChem CID10355
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
Molecular FormulaC7H11NO2
Molecular Weight141.17
XLogP-2.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity174
SMILES
CN1CCC=C(C1)C(=O)O
InChI
InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChIKey
DNJFTXKSFAMXQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arecaidine
CAS: 499-04-7
CID: 10355
Formula: C7H11NO2
MW: 141.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.17
XLogP3-2.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass141.078978594
Monoisotopic Mass141.078978594
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity174
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

Alternative Products

CatalogName
BA6671-10Arecaidine
HY-N2368A-01Arecaidine (hydrochloride)
T80013-01Arecaidine hydrobromide
MBS5752146Arecaidine hydrochloride

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