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2,3,4-Trimethylpyridine

CAT: 0572-TRC-T796708-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T796708-1GSize:1 g
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CAS Number
2233-29-6
Synonyms
2,3,4-Trimethylpyridine
Hazard Statement
No Data Available
Smiles
Cc1ccnc(C)c1C
Molecular Formula
C8 H11 N
Molecular Weight
121.18
InChI
InChI=1S/C8H11N/c1-6-4-5-9-8(3)7(6)2/h4-5H,1-3H3
Additionnal Information
IUPAC name: 2,3,4-trimethylpyridine
Shipping Conditions
Room Temperature

Chemical Information

2,3,4-Trimethylpyridine
CAS Number2233-29-6
PubChem CID16691
IUPAC Name2,3,4-trimethylpyridine
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity90
SMILES
CC1=C(C(=NC=C1)C)C
InChI
InChI=1S/C8H11N/c1-6-4-5-9-8(3)7(6)2/h4-5H,1-3H3
InChIKey
HOPRXXXSABQWAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4-Trimethylpyridine
CAS: 2233-29-6
CID: 16691
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP32
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
Complexity90.6
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
419929-012,3,4-Trimethylpyridine
sc-4719733-Bromo-2,4,6-trimethylpyridine
FT646832,4,6-Trimethylpyridine
OR10278913-Acetyl-2,4,6-Trimethylpyridine
OR81082-014-Methoxy-2,3,5-trimethylpyridine
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OR1083795-012,3,6-Trimethylpyridine
OR1025268-012,4,6-Trimethylpyridine-3,5-Dicarbonitrile
PC1103872,4,6-trimethylpyridine hexafluorophosphate
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