Home Imidazoles 56643-85-7
56643-85-7,MFCD06660785
Catalog No.:AA00EAQW

56643-85-7 | 4-(1H-Imidazol-1-ylmethyl)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$51.00   $36.00
- +
5g
98%
in stock  
$159.00   $111.00
- +
25g
98%
in stock  
$600.00   $420.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00EAQW
Chemical Name:
4-(1H-Imidazol-1-ylmethyl)aniline
CAS Number:
56643-85-7
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD06660785
SMILES:
Nc1ccc(cc1)Cn1cncc1
Properties
Properties
 
BP:
387.6°C at 760 mmHg  
Form:
Solid  
MP:
128-130°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
152  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.9  

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).

Journal: Journal of medicinal chemistry 20100225

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SDS
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