| CAS Number | 950070-03-8 |
| Catalog Number | AG019L28 |
| Chemical Name | N-(2-aminoethyl)-3-fluoro-4-methylbenzamide |
| IUPAC Name | N-(2-aminoethyl)-3-fluoro-4-methylbenzamide |
| InChI | InChI=1S/C10H13FN2O/c1-7-2-3-8(6-9(7)11)10(14)13-5-4-12/h2-3,6H,4-5,12H2,1H3,(H,13,14) |
| InChI Key | PLPAERDCLFRFCH-UHFFFAOYSA-N |
| MDL Number | MFCD09742599 |
| Molecular Formula | C10H13FN2O |
| Molecular Weight | 196.2214 |
| SMILES | CC1=C(F)C=C(C(NCCN)=O)C=C1 |
| Synonyms | N-(2-aminoethyl)-3-fluoro-4-methylbenzamide,
950070-03-8,
AC1Q2FEY,
SCHEMBL12462059,
CTK7E8778,
ZINC15583187,
AKOS000149469,
MCULE-1674429287,
NE21723,
EN300-29601,
Z285925540,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.225g/mol |
| Monoisotopic Mass | 196.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number