| CAS Number | 1093728-01-8 |
| Catalog Number | AG01A0XZ |
| Chemical Name | 4-amino-N-[2-(diethylamino)ethyl]-2-fluorobenzamide |
| IUPAC Name | 4-amino-N-[2-(diethylamino)ethyl]-2-fluorobenzamide |
| InChI | InChI=1S/C13H20FN3O/c1-3-17(4-2)8-7-16-13(18)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18) |
| InChI Key | KCIMUSDTYMQAIT-UHFFFAOYSA-N |
| MDL Number | MFCD16508390 |
| Molecular Formula | C13H20FN3O |
| Molecular Weight | 253.3158 |
| SMILES | CCN(CCNC(C1=C(F)C=C(N)C=C1)=O)CC |
| Synonyms | 4-amino-N-[2-(diethylamino)ethyl]-2-fluorobenzamide,
1093728-01-8,
ZINC49840586,
AKOS010978736,
MCULE-5424827459,
NE53125,
Z1436189137,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.321g/mol |
| Monoisotopic Mass | 253.159g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number