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2,4,6-Trimethylpyridine

CAT: 0926-FT64683Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FT64683Size:0.5 Kg
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CAS Number
108-75-8
MDL Number
MFCD00006338
Smiles
CC1=CC (=NC (=C1) C) C
Molecular Formula
C8H11N
Molecular Weight
121.18 g/mol
Controlled
No

Chemical Information

2,4,6-Trimethylpyridine

2,4,6-Trimethylpyridine is a member of methylpyridines.

CAS Number108-75-8
PubChem CID7953
IUPAC Name2,4,6-trimethylpyridine
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP1.9
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CC1=CC(=NC(=C1)C)C
InChI
InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3
InChIKey
BWZVCCNYKMEVEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trimethylpyridine
CAS: 108-75-8
CID: 7953
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass121.089149355
Monoisotopic Mass121.089149355
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.6
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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Alternative Products

CatalogName
sc-2563412,4,6-Trimethylpyridine
C6400412,4,6-Trimethylpyridine-d11
PC1103872,4,6-trimethylpyridine hexafluorophosphate
T28985-012,4,6-Trimethylpyridine 95%
sc-4719733-Bromo-2,4,6-trimethylpyridine
OR10278913-Acetyl-2,4,6-Trimethylpyridine
OR1083795-012,3,6-Trimethylpyridine
OR1025268-012,4,6-Trimethylpyridine-3,5-Dicarbonitrile
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