| CAS Number | 2475-78-7 |
| Catalog Number | AG01AIU0(AGN-PC-000Q1E) |
| Chemical Name | Methyl 2-amino-5-ethylbenzoate |
| IUPAC Name | methyl 2-amino-5-ethylbenzoate |
| InChI | InChI=1S/C10H13NO2/c1-3-7-4-5-9(11)8(6-7)10(12)13-2/h4-6H,3,11H2,1-2H3 |
| InChI Key | ZJDZGWIALYBAIL-UHFFFAOYSA-N |
| MDL Number | MFCD12159806 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CCC1=CC(C(OC)=O)=C(N)C=C1 |
| Synonyms | methyl 2-amino-5-ethylbenzoate,
2475-78-7,
methyl2-amino-5-ethylbenzoate,
SCHEMBL221403,
ZINC34248758,
AKOS008140004,
MCULE-7897291162,
NE44450,
AJ-87641,
EN300-79007,
Benzoic acid, 2-amino-5-ethyl-, methyl ester,
Z1189718806,
2-amino-5-ethylbenzoic acid methyl ester,
N/A,
|
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number