| CAS Number | 953891-84-4 |
| Catalog Number | AG01A8VA |
| Chemical Name | 3-amino-4-chloro-N-methyl-N-(propan-2-yl)benzamide |
| IUPAC Name | 3-amino-4-chloro-N-methyl-N-propan-2-ylbenzamide |
| InChI | InChI=1S/C11H15ClN2O/c1-7(2)14(3)11(15)8-4-5-9(12)10(13)6-8/h4-7H,13H2,1-3H3 |
| InChI Key | IZXLPZMCTPDTLQ-UHFFFAOYSA-N |
| MDL Number | MFCD09735568 |
| Molecular Formula | C11H15ClN2O |
| Molecular Weight | 226.7026 |
| SMILES | CC(N(C(C1=CC(N)=C(Cl)C=C1)=O)C)C |
| Synonyms | 3-amino-4-chloro-N-methyl-N-(propan-2-yl)benzamide,
953891-84-4,
AC1Q1PWN,
CTK6A9215,
ZINC22213371,
AKOS000143303,
MCULE-1121436404,
NE29598,
EN300-62656,
3-AMINO-4-CHLORO-N-ISOPROPYL-N-METHYLBENZAMIDE,
Benzamide, 3-amino-4-chloro-N-methyl-N-(1-methylethyl),
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.704g/mol |
| Monoisotopic Mass | 226.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number