| CAS Number | 1194810-76-8 |
| Catalog Number | AG01BTXB |
| Chemical Name | ethyl 3-(methylamino)benzoate hydrochloride |
| IUPAC Name | ethyl 3-(methylamino)benzoate;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-3-13-10(12)8-5-4-6-9(7-8)11-2;/h4-7,11H,3H2,1-2H3;1H |
| InChI Key | SQAYQQBLDBIMCP-UHFFFAOYSA-N |
| MDL Number | MFCD30724207 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.CCOC(C1=CC(NC)=CC=C1)=O |
| Synonyms | ethyl 3-(methylamino)benzoate hydrochloride,
1194810-76-8,
AKOS030761016,
Z2760930228,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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