Home Imidazoles 157197-53-0
157197-53-0,MFCD03788921
Catalog No.:AA003DIF
157197-53-0 | 1,3-Di-t-butylimidazol-2-ylidene
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250mg
min. 98%
1 week  
$249.00   $174.00
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Technical Information
Catalog Number:
AA003DIF
Chemical Name:
1,3-Di-t-butylimidazol-2-ylidene
CAS Number:
157197-53-0
Molecular Formula:
C11H20N2
Molecular Weight:
180.2899
MDL Number:
MFCD03788921
IUPAC Name:
1,3-ditert-butyl-2H-imidazol-1-ium-2-ide
InChI:
InChI=1S/C11H20N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,1-6H3
InChI Key:
FENRCIKTFREPGS-UHFFFAOYSA-N
SMILES:
CC(n1cc[n+]([c-]1)C(C)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.163g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.295g/mol
Monoisotopic Mass:
180.163g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
157197-53-0 
1,3-Di-tert-butylimidazol-2-ylidene 
MFCD03788921 
RTR-006600 
SC11706 
AX8244485 
TR-006600 
1,3-ditert-butyl-2H-imidazol-1-ium-2-ide 
D3472 
I14-105525 
1,3-DI-TERT-BUTYL-1,3-DIHYDRO-2H-IMIDAZOL-2-YLIDENE 
C11H20N2 
1,3-Di-tert-butyl-1H-imidazol-3-ium-2-ide 
CID10961644 
CID 10961644 
ItBu 
1,3-DI-T-BUTYLIMIDAZOL-2-YLIDENE 
CTK8B3030 
DTXSID20449891 
KS-000017JG 
7873AA 
ANW-41647 
Literature
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