Home Other Building Blocks 2-tert-Butyl-1H-imidazole

2-tert-Butyl-1H-imidazole

CAS No.:
36947-69-0
Catalog Number:
AG003HXR
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$263
- +
10g
98%
In Stock USA
United States
$438
- +
25g
98%
In Stock USA
United States
$788
- +
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
Properties