| CAS Number | 1179178-28-9 |
| Catalog Number | AG01AIHY |
| Chemical Name | Methyl 2-amino-3-ethylbenzoate |
| IUPAC Name | methyl 2-amino-3-ethylbenzoate |
| InChI | InChI=1S/C10H13NO2/c1-3-7-5-4-6-8(9(7)11)10(12)13-2/h4-6H,3,11H2,1-2H3 |
| InChI Key | ORMUAHXMMQWFQP-UHFFFAOYSA-N |
| MDL Number | MFCD12159920 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CCC1=C(N)C(C(OC)=O)=CC=C1 |
| Synonyms | methyl 2-amino-3-ethylbenzoate,
1179178-28-9,
SCHEMBL15528607,
ZINC37475469,
AKOS008140037,
MCULE-3553340279,
NE57354,
EN300-77898,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number