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Home > Imidazoles > 94887-76-0
94887-76-0 | 1H-Imidazole-4-methanol, 2-ethyl-5-methyl-
CAS No: 94887-76-0 Catalog No: AG006RAP MDL No:
Product Description
Catalog Number:
AG006RAP
Chemical Name:
1H-Imidazole-4-methanol, 2-ethyl-5-methyl-
CAS Number:
94887-76-0
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
IUPAC Name:
(2-ethyl-5-methyl-1H-imidazol-4-yl)methanol
InChI:
InChI=1S/C7H12N2O/c1-3-7-8-5(2)6(4-10)9-7/h10H,3-4H2,1-2H3,(H,8,9)
InChI Key:
NRCVBBCKYNCMEV-UHFFFAOYSA-N
SMILES:
CCc1nc(c([nH]1)C)CO
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and characterization of bis[(2-ethyl-5-methyl-imidazo-4-yl)methyl]sulfide and its coordination behavior toward Cu(II) as a possible approach of a copper site type I. | Bioinorganic chemistry and applications 20090101 |
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