| CAS Number | 1557797-41-7 |
| Catalog Number | AG01B2OU |
| Chemical Name | Ethyl 4-amino-3-[(propan-2-yl)amino]benzoate |
| IUPAC Name | ethyl 4-amino-3-(propan-2-ylamino)benzoate |
| InChI | InChI=1S/C12H18N2O2/c1-4-16-12(15)9-5-6-10(13)11(7-9)14-8(2)3/h5-8,14H,4,13H2,1-3H3 |
| InChI Key | JOYWDDRYKFMBOO-UHFFFAOYSA-N |
| MDL Number | MFCD24306309 |
| Molecular Formula | C12H18N2O2 |
| Molecular Weight | 222.2835 |
| SMILES | CCOC(C1=CC(NC(C)C)=C(N)C=C1)=O |
| Synonyms | ethyl 4-amino-3-[(propan-2-yl)amino]benzoate,
1557797-41-7,
AKOS021109023,
ZINC169056120,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.288g/mol |
| Monoisotopic Mass | 222.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number