| CAS Number | 153304-75-7 |
| Catalog Number | AG01BTHX |
| Chemical Name | Methyl 4-amino-3-ethylbenzoate |
| IUPAC Name | methyl 4-amino-3-ethylbenzoate |
| InChI | InChI=1S/C10H13NO2/c1-3-7-6-8(10(12)13-2)4-5-9(7)11/h4-6H,3,11H2,1-2H3 |
| InChI Key | BUHJYJUFJWHZKI-UHFFFAOYSA-N |
| MDL Number | MFCD00230305 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | O=C(OC)C1=CC=C(N)C(CC)=C1 |
| Synonyms | methyl 4-amino-3-ethylbenzoate,
153304-75-7,
SCHEMBL4034491,
BUHJYJUFJWHZKI-UHFFFAOYSA-N,
AKOS034062756,
ZINC139815588,
FT-0729905,
Benzoic acid, 4-amino-3-ethyl-, methyl ester,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number