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1721-93-3,MFCD00006902
Catalog No.:AA00HZHL

1721-93-3 | 1-Methylisoquinoline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$24.00   $17.00
- +
5g
97%
in stock  
$96.00   $67.00
- +
25g
97%
in stock  
$381.00   $267.00
- +
100g
97%
in stock  
$889.00   $623.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HZHL
Chemical Name:
1-Methylisoquinoline
CAS Number:
1721-93-3
Molecular Formula:
C10H9N
Molecular Weight:
143.1852
MDL Number:
MFCD00006902
SMILES:
Cc1nccc2c1cccc2
NSC Number:
101175
Properties
Computed Properties
 
Complexity:
133  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Literature

Title: Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.

Journal: European journal of medicinal chemistry 20090501

Title: Secondary metabolites from Eurotium species, Aspergillus calidoustus and A. insuetus common in Canadian homes with a review of their chemistry and biological activities.

Journal: Mycological research 20090401

Title: Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

Journal: Journal of medicinal chemistry 20050127

Title: Rearrangement of 2-quinolyl- and 1-isoquinolylcarbenes to naphthylnitrenes.

Journal: The Journal of organic chemistry 20040319

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SDS
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Tags:1721-93-3 Molecular Formula|1721-93-3 MDL|1721-93-3 SMILES|1721-93-3 1-Methylisoquinoline
Catalog No.: AA00HZHL
1721-93-3,MFCD00006902
1721-93-3 | 1-Methylisoquinoline
Pack Size： 1g
Purity： 97%
in stock
$24.00 $17.00
Pack Size： 5g
Purity： 97%
in stock
$96.00 $67.00
Pack Size： 25g
Purity： 97%
in stock
$381.00 $267.00
Pack Size： 100g
Purity： 97%
in stock
$889.00 $623.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00HZHL
Chemical Name: 1-Methylisoquinoline
CAS Number: 1721-93-3
Molecular Formula: C10H9N
Molecular Weight: 143.1852
MDL Number: MFCD00006902
SMILES: Cc1nccc2c1cccc2
NSC Number: 101175
Properties
Complexity: 133  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Literature fold

Title: Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques.

Journal: European journal of medicinal chemistry20090501

Title: Secondary metabolites from Eurotium species, Aspergillus calidoustus and A. insuetus common in Canadian homes with a review of their chemistry and biological activities.

Journal: Mycological research20090401

Title: Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.

Journal: Journal of medicinal chemistry20050127

Title: Rearrangement of 2-quinolyl- and 1-isoquinolylcarbenes to naphthylnitrenes.

Journal: The Journal of organic chemistry20040319

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