| CAS Number | 889673-49-8 |
| Catalog Number | AG01A8AP(AGN-PC-082NDN) |
| Chemical Name | Ethyl 2-amino-5-phenylbenzoate |
| IUPAC Name | ethyl 2-amino-5-phenylbenzoate |
| InChI | InChI=1S/C15H15NO2/c1-2-18-15(17)13-10-12(8-9-14(13)16)11-6-4-3-5-7-11/h3-10H,2,16H2,1H3 |
| InChI Key | JOIQYEPWQHFNRA-UHFFFAOYSA-N |
| MDL Number | MFCD12602975 |
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.2851 |
| SMILES | NC1=C(C(=O)OCC)C=C(C=C1)C1=CC=CC=C1 |
| Synonyms | ethyl 2-amino-5-phenylbenzoate,
889673-49-8,
AC1Q330Z,
CTK6F5909,
ZINC37408738,
AKOS009469723,
MCULE-7711734682,
NE30859,
EN300-61185,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.29g/mol |
| Monoisotopic Mass | 241.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number