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20458-99-5,MFCD00019912
Catalog No.:AA0029HZ

20458-99-5 | 2,6-Diethylphenyl isocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$59.00   $42.00
- +
5g
95
in stock  
$132.00   $93.00
- +
25g
95
in stock  
$310.00   $217.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0029HZ
Chemical Name:
2,6-Diethylphenyl isocyanate
CAS Number:
20458-99-5
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00019912
SMILES:
CCc1cccc(c1N=C=O)CC
Properties
Properties
 
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
184  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
4.3  

Literature

Title: 4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor.

Journal: Journal of medicinal chemistry 20020718

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SDS
Tags:20458-99-5 Molecular Formula|20458-99-5 MDL|20458-99-5 SMILES|20458-99-5 2,6-Diethylphenyl isocyanate