| CAS Number | 863669-04-9 |
| Catalog Number | AG00IE15 |
| Chemical Name | N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2-(morpholin-4-yl)acetamide |
| IUPAC Name | N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2-morpholin-4-ylacetamide |
| InChI | InChI=1S/C13H18N4O3/c14-13(16-19)10-2-1-3-11(8-10)15-12(18)9-17-4-6-20-7-5-17/h1-3,8,19H,4-7,9H2,(H2,14,16)(H,15,18) |
| InChI Key | IAAQXEXNTWTPMT-UHFFFAOYSA-N |
| MDL Number | MFCD07339125 |
| Molecular Formula | C13H18N4O3 |
| Molecular Weight | 278.3070 |
| SMILES | NC(C1=CC(NC(CN2CCOCC2)=O)=CC=C1)=NO |
| Synonyms | N-[3-(N'-hydroxycarbamimidoyl)phenyl]-2-(morpholin-4-yl)acetamide,
863669-04-9,
CTK8A6053,
CTK8G1463,
AKOS034788834,
Z99599544,
N-{3-[amino(hydroxyimino)methyl]phenyl}-2-morpholin-4-ylacetamide,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.312g/mol |
| Monoisotopic Mass | 278.138g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.1 |
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