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N-Methyl Anabasine

CAT: 0572-TRC-M287500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M287500-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055-12-1
Synonyms
1-Methyl-anabasine; 3-(1-Methyl-2-piperidinyl)-pyridine; 1-Methyl-2-(3'-pyridyl)piperidine; 1-Methylanabasine; N'-Methylanabasine; N'-Methylanabasine
Hazard Statement
Toxic if swallowed; UN number: UN3144; Packing Group: III
Purity
>95% (GC)
Smiles
CN1CCCCC1c2cccnc2
Molecular Formula
C11 H16 N2
Molecular Weight
176.258
InChI
InChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
Additionnal Information
IUPAC name: 3-(1-methylpiperidin-2-yl)pyridine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methylanabasine

RN given refers to (+-)-isomer; structure

CAS Number2055-12-1
PubChem CID3053192
IUPAC Name2-methyl-3-piperidin-2-ylpyridine
Molecular FormulaC11H16N2
Molecular Weight176.26
XLogP1.5
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity158
SMILES
CC1=C(C=CC=N1)C2CCCCN2
InChI
InChI=1S/C11H16N2/c1-9-10(5-4-8-12-9)11-6-2-3-7-13-11/h4-5,8,11,13H,2-3,6-7H2,1H3
InChIKey
NXOCBSTXRGDTGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylanabasine
CAS: 2055-12-1
CID: 3053192
Formula: C11H16N2
MW: 176.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.26
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.131348519
Monoisotopic Mass176.131348519
Topological Polar Surface Area24.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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