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Myosmine

CAT: 0931-T7671-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T7671-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
532-12-7
Target
AChR
Related Pathways
Neuroscience
Purity
0.9995
Bioactivity
Myosmine is a minor tobacco alkaloid that is structurally related to nicotine.
Smiles
C1CN=C(C1)c1cccnc1
Molecular Formula
C9H10N2
Molecular Weight
146.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Myosmine

Myosmine is a member of the class of pyridines that is pyridine substituted by a 3,4-dihydro-2H-pyrrol-5-yl group at position 3. It is an alkaloid found in tobacco plants and exhibits genotoxic effects. It has a role as a mutagen, an EC 1.14.14.14 (aromatase) inhibitor and a plant metabolite. It is a pyrroline and a pyridine alkaloid.

CAS Number532-12-7
PubChem CID442649
IUPAC Name3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
Molecular FormulaC9H10N2
Molecular Weight146.19
XLogP0.6
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity163
SMILES
C1CC(=NC1)C2=CN=CC=C2
InChI
InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
InChIKey
DPNGWXJMIILTBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Myosmine
CAS: 532-12-7
CID: 442649
Formula: C9H10N2
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass146.084398327
Monoisotopic Mass146.084398327
Topological Polar Surface Area25.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
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

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