| CAS Number | 2098155-98-5 |
| Catalog Number | AG01E7XZ |
| Chemical Name | 1-[(N'-Hydroxycarbamimidoyl)methyl]piperidine-4-carboxamide |
| IUPAC Name | 1-(2-amino-2-hydroxyiminoethyl)piperidine-4-carboxamide |
| InChI | InChI=1S/C8H16N4O2/c9-7(11-14)5-12-3-1-6(2-4-12)8(10)13/h6,14H,1-5H2,(H2,9,11)(H2,10,13) |
| InChI Key | RWAPAAXQIJIKHO-UHFFFAOYSA-N |
| MDL Number | MFCD29999077 |
| Molecular Formula | C8H16N4O2 |
| Molecular Weight | 200.2382 |
| SMILES | NC(C1CCN(CC(N)=NO)CC1)=O |
| Synonyms | ZINC409429447,
1-[(N'-Hydroxycarbamimidoyl)methyl]piperidine-4-carboxamide,
2098155-98-5,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.242g/mol |
| Monoisotopic Mass | 200.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -1.2 |
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