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Home Other Building Blocks 1,3-DIMETHYLNAPHTHALENE

1,3-DIMETHYLNAPHTHALENE

CAS No.:
575-41-7
Catalog Number:
AG003DKG
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95.0%(GC)
1 week
United States
$142
- +
Product Description
Catalog Number:
AG003DKG
Chemical Name:
1,3-DIMETHYLNAPHTHALENE
CAS Number:
575-41-7
MDL Number:
MFCD00004036
IUPAC Name:
1,3-dimethylnaphthalene
InChI:
InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
InChI Key:
QHJMFSMPSZREIF-UHFFFAOYSA-N
EC Number:
209-384-6
UNII:
3RY1AV3CER
NSC Number:
66991
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.228g/mol
Monoisotopic Mass:
156.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques. European journal of medicinal chemistry 20090501
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. Journal of medicinal chemistry 20050602
Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme. Journal of medicinal chemistry 20050127
Bioconcentration, biotransformation, and elimination of polycyclic aromatic hydrocarbons in sheepshead minnows (Cyprinodon variegatus) exposed to contaminated seawater. Environmental toxicology and chemistry 20040601
Properties