| CAS Number | 102362-81-2 |
| Catalog Number | AG009KI8(AGN-PC-06FEIA) |
| Chemical Name | Ethyl 3-(ethylamino)benzoate |
| IUPAC Name | ethyl 3-(ethylamino)benzoate |
| InChI | InChI=1S/C11H15NO2/c1-3-12-10-7-5-6-9(8-10)11(13)14-4-2/h5-8,12H,3-4H2,1-2H3 |
| InChI Key | ILUWJNMEDRWSHF-UHFFFAOYSA-N |
| MDL Number | MFCD11177313 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CCNC1=CC(C(OCC)=O)=CC=C1 |
| Synonyms | ethyl 3-(ethylamino)benzoate,
102362-81-2,
AC1Q31GM,
Benzoic acid, 3-(ethylamino)-, ethyl ester (9CI),
SCHEMBL3092388,
CTK6F6683,
ZINC36379781,
AKOS008065284,
MCULE-8496431036,
NE41443,
EN300-51701,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number