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Home > Imidazoles > 19141-85-6
19141-85-6 | 1H-Imidazole, 5-ethyl-
CAS No: 19141-85-6 Catalog No: AG001IL3 MDL No:MFCD20617036
Product Description
Catalog Number:
AG001IL3
Chemical Name:
1H-Imidazole, 5-ethyl-
CAS Number:
19141-85-6
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
MDL Number:
MFCD20617036
IUPAC Name:
5-ethyl-1H-imidazole
InChI:
InChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChI Key:
NJQHZENQKNIRSY-UHFFFAOYSA-N
SMILES:
CCc1cnc[nH]1
UNII:
3VIQ867IIR
Properties
Complexity:
54
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.069g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
96.133g/mol
Monoisotopic Mass:
96.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| The catalytic aspartate is protonated in the Michaelis complex formed between trypsin and an in vitro evolved substrate-like inhibitor: a refined mechanism of serine protease action. | The Journal of biological chemistry 20110204 |
| Iron porphyrins with different imidazole ligands. A theoretical comparative study. | The journal of physical chemistry. A 20100909 |
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