Home Imidazoles 36947-69-0
36947-69-0,MFCD16618480
Catalog No.:AA003HUZ
36947-69-0 | 2-tert-Butyl-1H-imidazole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$100.00   $70.00
- +
5g
98%
in stock  
$334.00   $234.00
- +
10g
98%
in stock  
$556.00   $389.00
- +
25g
98%
in stock  
$1,000.00   $700.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HUZ
Chemical Name:
2-tert-Butyl-1H-imidazole
CAS Number:
36947-69-0
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD16618480
IUPAC Name:
2-tert-butyl-1H-imidazole
InChI:
InChI=1S/C7H12N2/c1-7(2,3)6-8-4-5-9-6/h4-5H,1-3H3,(H,8,9)
InChI Key:
CTUNHIMNHSKDBN-UHFFFAOYSA-N
SMILES:
CC(c1ncc[nH]1)(C)C
Properties
Computed Properties
 
Complexity:
93.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
36947-69-0 
2-tert-butyl-1H-imidazole 
DTXSID40333309 
CTUNHIMNHSKDBN-UHFFFAOYSA-N 
ALBB-014339 
1783AE 
MFCD16618480 
ZINC13220227 
AKOS005174333 
MCULE-5084613064 
PB30136 
TRA0109828 
2-(tert-Butyl)-1H-imidazole 
KS-000004V1 
AK-93993 
DS-17895 
SY014880 
AB0053107 
TX-016526 
BB 0259445 
CS-0052549 
2-(1,1-DIMETHYLETHYL)-1H-IMIDAZOLE 
C-8483 
1H-Imidazole, 2-(1,1-dimethylethyl)- 
MFCD16618480 (95+%) 
C7H12N2 
CID498442 
CID 498442 
1H-Imidazole,2-(1,1-dimethylethyl)- 
2-tert-Butyl-1H-imidazole, 98% - 1G 1g 
2-TERT-BUTYLIMIDAZOLE 
2-t-butylimidazole 
AC1LAYTN 
SCHEMBL67017 
2-(tert-Butyl);-1H-imidazole 
CTK1A9797 
Literature

Title: Models for cytochromes c': spin states of mono(imidazole)-ligated (meso-tetramesitylporphyrinato)iron(III) complexes as studied by UV-Vis, 13C NMR, 1H NMR, and EPR spectroscopy.

Journal: Inorganic chemistry 20021202

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