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Arecaidine

CAT: 0931-TN1398-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1398-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
499-04-7
Target
Others, GABA Receptor
Related Pathways
Neuroscience, Others, Membrane transporter/Ion channel
Purity
0.9976
Bioactivity
Arecaidine has tumorgenicity.
Smiles
CN1CCC=C(C1)C(O)=O
Molecular Formula
C7H11NO2
Molecular Weight
141.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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)
MBS5752146Arecaidine hydrochloride
MBS5821672Arecaidine hydrobromide
AR-A02437-01Arecaidine-d3

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