| CAS Number | 67560-27-4 |
| Catalog Number | AG01EJU5(AGN-PC-0OG75U) |
| Chemical Name | 1-(2-amino-1H-imidazol-5-yl)ethan-1-one |
| IUPAC Name | 1-(2-amino-1H-imidazol-5-yl)ethanone |
| InChI | InChI=1S/C5H7N3O/c1-3(9)4-2-7-5(6)8-4/h2H,1H3,(H3,6,7,8) |
| InChI Key | TUHILCSTOZCXEI-UHFFFAOYSA-N |
| MDL Number | MFCD10696754 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CC(C1NC(N)=NC=1)=O |
| Synonyms | 67560-27-4,
1-(2-AMINO-1H-IMIDAZOL-5-YL)ETHANONE,
SCHEMBL10502893,
AKOS006305546,
AKOS022633144,
AB58081,
1-(2-amino-1H-imidazol-5-yl)ethan-1-one,
Ethanone, 1-(2-amino-1H-imidazol-5-yl)-,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.131g/mol |
| Monoisotopic Mass | 125.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number