| CAS Number | 568555-57-7 |
| Catalog Number | AG019HX1 |
| Chemical Name | 2-cyano-N-[4-(morpholin-4-yl)phenyl]acetamide |
| IUPAC Name | 2-cyano-N-(4-morpholin-4-ylphenyl)acetamide |
| InChI | InChI=1S/C13H15N3O2/c14-6-5-13(17)15-11-1-3-12(4-2-11)16-7-9-18-10-8-16/h1-4H,5,7-10H2,(H,15,17) |
| InChI Key | ZHVLIQVUAGHPCA-UHFFFAOYSA-N |
| MDL Number | MFCD03980957 |
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.2771 |
| SMILES | O=C(NC1=CC=C(N2CCOCC2)C=C1)CC#N |
| Synonyms | 2-cyano-N-[4-(morpholin-4-yl)phenyl]acetamide,
2-Cyano-N-(4-morpholin-4-yl-phenyl)-acetamide,
568555-57-7,
2-cyano-N-(4-morpholin-4-ylphenyl)acetamide,
EN300-04977,
Enamine_005592,
AC1Q5GT3,
CTK7C9451,
HMS1409O04,
AC1M7850,
ZINC3321818,
IMED56991625,
SBB042447,
AKOS000270709,
MCULE-6281220849,
NE22396,
NCGC00321388-01,
AB01316493-02,
Z56910388,
ZINC03321818,
CID2437295,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.282g/mol |
| Monoisotopic Mass | 245.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number