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Home Imidazoles 120107-85-9
120107-85-9,MFCD07801129
Catalog No.:AA000Q9P

120107-85-9 | 3-(1H-Imidazol-1-ylmethyl)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$128.00   $90.00
- +
5g
98%
in stock  
$361.00   $253.00
- +
10g
98%
in stock  
$643.00   $450.00
- +
25g
98%
in stock  
$1,258.00   $881.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000Q9P
Chemical Name:
3-(1H-Imidazol-1-ylmethyl)aniline
CAS Number:
120107-85-9
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
MDL Number:
MFCD07801129
SMILES:
Nc1cccc(c1)Cn1cncc1
Properties
Properties
 
BP:
392.8°C at 760 mmHg  
Form:
Solid  
MP:
72 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
160  
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  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/65794,2006,A1Locationinpatent:Page/Pagecolumn194-196

[1]CurrentPatentAssignee:MERCK&COINC-WO2006/65794,2006,A1Locationinpatent:Page/Pagecolumn193

[1]CurrentPatentAssignee:SENHWABIOSCIENCES-WO2011/31979,2011,A1Locationinpatent:Page/Pagecolumn80

Literature

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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Tags:120107-85-9 Molecular Formula|120107-85-9 MDL|120107-85-9 SMILES|120107-85-9 3-(1H-Imidazol-1-ylmethyl)aniline