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Home Other Building Blocks 1,5-Dimethylnaphthalene

1,5-Dimethylnaphthalene

CAS No.:
571-61-9
Catalog Number:
AG003DQI
Molecular Formula:
C12H12
Molecular Weight:
156.2237
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
>99.0%(GC)
1 week
United States
$89
- +
1g
>97.0%(GC)
1 week
United States
$241
- +
5g
>97.0%(GC)
1 week
United States
$639
- +
Product Description
Catalog Number:
AG003DQI
Chemical Name:
1,5-Dimethylnaphthalene
CAS Number:
571-61-9
Molecular Formula:
C12H12
Molecular Weight:
156.2237
MDL Number:
MFCD00004038
IUPAC Name:
1,5-dimethylnaphthalene
InChI:
InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3
InChI Key:
SDDBCEWUYXVGCQ-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1cccc2C
EC Number:
209-338-5
UNII:
60CM3233U9
NSC Number:
59388
Properties
Complexity:
132  
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
Biodegradation kinetics of select polycyclic aromatic hydrocarbon (PAH) mixtures by Sphingomonas paucimobilis EPA505. Biodegradation 20080401
Molecular multi-effect screening of environmental pollutants using the MolDarT. Environmental toxicology 20080201
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
A new NMR approach for the assignment of symmetric isomers. Journal of the American Chemical Society 20040929
Properties