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4,4'-Dimethyl-2,2'-bipyridine

CAT: 0572-TRC-B429933-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B429933-1GSize:1 g
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CAS Number
1134-35-6
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Cc1ccnc(c1)c2cc(C)ccn2
Molecular Formula
C12 H12 N2
Molecular Weight
184.237
InChI
InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
Additionnal Information
IUPAC name: 4-methyl-2-(4-methylpyridin-2-yl)pyridine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4,4'-Dimethyl-2,2'-bipyridine

structure in first source

CAS Number1134-35-6
PubChem CID14338
IUPAC Name4-methyl-2-(4-methyl-2-pyridinyl)pyridine
Molecular FormulaC12H12N2
Molecular Weight184.24
XLogP2.2
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)C
InChI
InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
InChIKey
NBPGPQJFYXNFKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dimethyl-2,2'-bipyridine
CAS: 1134-35-6
CID: 14338
Formula: C12H12N2
MW: 184.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight184.24
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass184.100048391
Monoisotopic Mass184.100048391
Topological Polar Surface Area25.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
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