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85872-87-3,MFCD03854611
Catalog No.:AA00IDQ4

85872-87-3 | 4-(4-Methyl-piperidin-1-yl)-benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$86.00   $60.00
- +
1g
95%
in stock  
$240.00   $168.00
- +
5g
95%
in stock  
$800.00   $560.00
- +
25g
95%
in stock  
$2,865.00   $2,005.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IDQ4
Chemical Name:
4-(4-Methyl-piperidin-1-yl)-benzonitrile
CAS Number:
85872-87-3
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD03854611
SMILES:
CC1CCN(CC1)c1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
237  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:85872-87-3 Molecular Formula|85872-87-3 MDL|85872-87-3 SMILES|85872-87-3 4-(4-Methyl-piperidin-1-yl)-benzonitrile
Catalog No.: AA00IDQ4
85872-87-3,MFCD03854611
85872-87-3 | 4-(4-Methyl-piperidin-1-yl)-benzonitrile
Pack Size： 250mg
Purity： 95%
in stock
$86.00 $60.00
Pack Size： 1g
Purity： 95%
in stock
$240.00 $168.00
Pack Size： 5g
Purity： 95%
in stock
$800.00 $560.00
Pack Size： 25g
Purity： 95%
in stock
$2,865.00 $2,005.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00IDQ4
Chemical Name: 4-(4-Methyl-piperidin-1-yl)-benzonitrile
CAS Number: 85872-87-3
Molecular Formula: C13H16N2
Molecular Weight: 200.2795
MDL Number: MFCD03854611
SMILES: CC1CCN(CC1)c1ccc(cc1)C#N
Properties
Complexity: 237  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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