| CAS Number | 17318-49-9 |
| Catalog Number | AG01AIVM(AGN-PC-00KVKW) |
| Chemical Name | Methyl 2-(ethylamino)benzoate |
| IUPAC Name | methyl 2-(ethylamino)benzoate |
| InChI | InChI=1S/C10H13NO2/c1-3-11-9-7-5-4-6-8(9)10(12)13-2/h4-7,11H,3H2,1-2H3 |
| InChI Key | BRBHQHMXEKVTRR-UHFFFAOYSA-N |
| MDL Number | MFCD07439810 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CCNC1=C(C(OC)=O)C=CC=C1 |
| Synonyms | methyl 2-(ethylamino)benzoate,
17318-49-9,
Methyl 2-ethylaminobenzoate,
methyl N-ethylanthranilate,
SCHEMBL1903514,
N-Ethyl-2-(methoxycarbonyl)aniline,
ZINC8703121,
AKOS002665766,
MCULE-5583994939,
NE36706,
EN300-79138,
Z111833748,
|
| Complexity | 170 |
| 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 | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number