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4-Methylbiphenyl

CAT: 0804-HY-W017077-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W017077-01Size:5 g
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Description
4-Methylbiphenyl is an endogenous metabolite.
CAS Number
644-08-6
Product Name Alternative
4-Phenyltoluene
UNSPSC
12352005
Hazard Statement
H302
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/4-methylbiphenyl.html
Concentration
10mM
Purity
99.98
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC1=CC=C(C2=CC=CC=C2)C=C1
Molecular Formula
C13H12
Molecular Weight
168.24
Precautions
H302
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

4-Methylbiphenyl

4-Methylbiphenyl is a member of biphenyls.

CAS Number644-08-6
PubChem CID12566
IUPAC Name1-methyl-4-phenylbenzene
Molecular FormulaC13H12
Molecular Weight168.23
XLogP4.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity136
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
ZZLCFHIKESPLTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylbiphenyl
CAS: 644-08-6
CID: 12566
Formula: C13H12
MW: 168.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.23
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass168.093900383
Monoisotopic Mass168.093900383
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity136
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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T8783-014-Methylbiphenyl
OR22452-014-Hydroxy-4'-methylbiphenyl
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