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Home Other Building Blocks 13816-33-6
13816-33-6,MFCD00052966
Catalog No.:AA00180W

13816-33-6 | 4-Isopropylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$12.00   $8.00
- +
1g
98%
in stock  
$34.00   $24.00
- +
5g
≥ 98% (GC)
in stock  
$98.00   $69.00
- +
25g
≥ 98% (GC)
in stock  
$175.00   $123.00
- +
100g
≥ 98% (GC)
in stock  
$367.00   $257.00
- +
250g
≥ 98% (GC)
in stock  
$659.00   $461.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA00180W
Chemical Name:
4-Isopropylbenzonitrile
CAS Number:
13816-33-6
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
MDL Number:
MFCD00052966
SMILES:
N#Cc1ccc(cc1)C(C)C
Properties
Properties
 
BP:
231.5 °C at 760 mmHg  
Form:
Solid  
MP:
51.5℃ (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
155  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
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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