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36947-69-0 | 2-(tert-Butyl);-1H-imidazole
CAS No: 36947-69-0 Catalog No: AG003HXR MDL No:MFCD16618480
Product Description
Catalog Number:
AG003HXR
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
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
Literature
| Title | Journal |
|---|---|
| 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. | Inorganic chemistry 20021202 |
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