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Arecaidine hydrochloride

CAT: 1410-M20473-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M20473-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Arecaidine hydrochloride may have carcinogenesis.
CAS Number
6018-28-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
177.63
Molecular Formula
C7H12ClNO2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Arecaidine hydrochloride
CAS Number6018-28-6
PubChem CID12305194
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride
Molecular FormulaC7H12ClNO2
Molecular Weight177.63
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity174
SMILES
CN1CCC=C(C1)C(=O)O.Cl
InChI
InChI=1S/C7H11NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h3H,2,4-5H2,1H3,(H,9,10);1H
InChIKey
PIVDNPNYIBGXPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arecaidine hydrochloride
CAS: 6018-28-6
CID: 12305194
Formula: C7H12ClNO2
MW: 177.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.63
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass177.0556563
Monoisotopic Mass177.0556563
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
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 Count2
Compound Is CanonicalizedYes

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