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3,5-Lutidine

CAT: 0572-TRC-L478040-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-L478040-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
591-22-0
Synonyms
3,5-Dimethylpyridine; NSC 60736
Hazard Statement
No Data Available; UN number: UN3286; Packing Group: II
Smiles
Cc1cncc(C)c1
Molecular Formula
C7H9N
Molecular Weight
107.15
Shipping Conditions
Room Temperature

Chemical Information

3,5-Dimethylpyridine
CAS Number591-22-0
PubChem CID11565
IUPAC Name3,5-dimethylpyridine
Molecular FormulaC7H9N
Molecular Weight107.15
XLogP1.8
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
CC1=CC(=CN=C1)C
InChI
InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
InChIKey
HWWYDZCSSYKIAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethylpyridine
CAS: 591-22-0
CID: 11565
Formula: C7H9N
MW: 107.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight107.15
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass107.073499291
Monoisotopic Mass107.073499291
Topological Polar Surface Area12.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.8
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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sc-2387053,5-Lutidine
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01574 002503, 5-Lutidine 98% For Synthesis
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