| CAS Number | 2138136-21-5 |
| Catalog Number | AG01C8Z1 |
| Chemical Name | methyl 3-amino-2-(methylamino)benzoate hydrochloride |
| IUPAC Name | methyl 3-amino-2-(methylamino)benzoate;hydrochloride |
| InChI | InChI=1S/C9H12N2O2.ClH/c1-11-8-6(9(12)13-2)4-3-5-7(8)10;/h3-5,11H,10H2,1-2H3;1H |
| InChI Key | INWJWDJJBYWDRF-UHFFFAOYSA-N |
| MDL Number | MFCD31443742 |
| Molecular Formula | C9H13ClN2O2 |
| Molecular Weight | 216.6647 |
| SMILES | Cl.CNC1=C(C(OC)=O)C=CC=C1N |
| Synonyms | methyl 3-amino-2-(methylamino)benzoate hydrochloride,
2138136-21-5,
AKOS034085771,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.665g/mol |
| Monoisotopic Mass | 216.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number