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822-90-2 | 1H-Imidazole,2,4,5-trimethyl-
CAS No: 822-90-2 Catalog No: AG0055Z8 MDL No:MFCD00128183
Product Description
Catalog Number:
AG0055Z8
Chemical Name:
1H-Imidazole,2,4,5-trimethyl-
CAS Number:
822-90-2
Molecular Formula:
C6H10N2
Molecular Weight:
110.1570
MDL Number:
MFCD00128183
IUPAC Name:
2,4,5-trimethyl-1H-imidazole
InChI:
InChI=1S/C6H10N2/c1-4-5(2)8-6(3)7-4/h1-3H3,(H,7,8)
InChI Key:
PTBPTNCGZUOCBK-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(c(n1)C)C
EC Number:
212-507-6
UNII:
R42O298O4W
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:
1
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Formation and identification of trimethylimidazole during tetramethylpyrazine production from glucose by Bacillus strains. | Biotechnology letters 20090901 |
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