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20185-22-2 | 1H-Imidazole, 1,4,5-trimethyl-
CAS No: 20185-22-2 Catalog No: AG0027W4 MDL No:
Product Description
Catalog Number:
AG0027W4
Chemical Name:
1H-Imidazole, 1,4,5-trimethyl-
CAS Number:
20185-22-2
Molecular Formula:
C6H10N2
Molecular Weight:
110.1570
IUPAC Name:
1,4,5-trimethylimidazole
InChI:
InChI=1S/C6H10N2/c1-5-6(2)8(3)4-7-5/h4H,1-3H3
InChI Key:
RDTIFYBSPQERAS-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1C)C
Properties
Complexity:
82.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Self-assembly of the oxy-tyrosinase core and the fundamental components of phenolic hydroxylation. | Nature chemistry 20120304 |
| The photochemical rearrangement pathways of imidazoles: a theoretical study. | The journal of physical chemistry. A 20070308 |
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