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168890-46-8,MFCD02663710
Catalog No.:AA007V4V

168890-46-8 | 2-(4-Methoxyphenyl)azepane

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
2 weeks  
$393.00   $275.00
- +
250mg
2 weeks  
$447.00   $313.00
- +
500mg
2 weeks  
$500.00   $350.00
- +
1g
2 weeks  
$572.00   $400.00
- +
5g
2 weeks  
$1,375.00   $963.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA007V4V
Chemical Name:
2-(4-Methoxyphenyl)azepane
CAS Number:
168890-46-8
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD02663710
SMILES:
COc1ccc(cc1)C1CCCCCN1
Properties
Computed Properties
 
Complexity:
175  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.5  

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
Tags:168890-46-8 Molecular Formula|168890-46-8 MDL|168890-46-8 SMILES|168890-46-8 2-(4-Methoxyphenyl)azepane