| CAS Number | 1019507-58-4 |
| Catalog Number | AG01BD5H(AGN-PC-0WOU2W) |
| Chemical Name | 4-(6-aminopyridin-3-yl)piperazin-2-one |
| IUPAC Name | 4-(6-aminopyridin-3-yl)piperazin-2-one |
| InChI | InChI=1S/C9H12N4O/c10-8-2-1-7(5-12-8)13-4-3-11-9(14)6-13/h1-2,5H,3-4,6H2,(H2,10,12)(H,11,14) |
| InChI Key | LOPKOFPQJWLVOK-UHFFFAOYSA-N |
| MDL Number | MFCD11135642 |
| Molecular Formula | C9H12N4O |
| Molecular Weight | 192.2178 |
| SMILES | NC1=NC=C(N2CC(=O)NCC2)C=C1 |
| Synonyms | 4-(6-aminopyridin-3-yl)piperazin-2-one,
1019507-58-4,
SCHEMBL1991950,
LOPKOFPQJWLVOK-UHFFFAOYSA-N,
ZINC19868185,
AKOS000222137,
4-(6-amino-pyridin-3-yl)-piperazin-2-one,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.222g/mol |
| Monoisotopic Mass | 192.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number