| CAS Number | 938517-72-7 |
| Catalog Number | AG019TOT |
| Chemical Name | 3-Amino-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide |
| IUPAC Name | 3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide |
| InChI | InChI=1S/C11H15ClN2O2/c1-7-5-9(14-11(15)3-4-13)10(16-2)6-8(7)12/h5-6H,3-4,13H2,1-2H3,(H,14,15) |
| InChI Key | XGAWIKZSQKNGLU-UHFFFAOYSA-N |
| MDL Number | MFCD09726296 |
| Molecular Formula | C11H15ClN2O2 |
| Molecular Weight | 242.7020 |
| SMILES | COC1=C(NC(CCN)=O)C=C(C)C(Cl)=C1 |
| Synonyms | 3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide,
938517-72-7,
ZINC11755272,
AKOS000183561,
MCULE-7281383388,
NE24264,
Z1322223180,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.703g/mol |
| Monoisotopic Mass | 242.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number