| CAS Number | 39718-92-8 |
| Catalog Number | AG00I7ST |
| Chemical Name | ETHYL 2-(4-(ETHYLAMINO)PHENYL)ACETATE |
| IUPAC Name | ethyl 2-[4-(ethylamino)phenyl]acetate |
| InChI | InChI=1S/C12H17NO2/c1-3-13-11-7-5-10(6-8-11)9-12(14)15-4-2/h5-8,13H,3-4,9H2,1-2H3 |
| InChI Key | OXLHUYOHAIHLSF-UHFFFAOYSA-N |
| MDL Number | MFCD24555056 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | CCOC(=O)Cc1ccc(cc1)NCC |
| Synonyms | Ethyl 2-(4-(ethylamino)phenyl)acetate,
39718-92-8,
Ethyl p-ethylaminophenylacetate,
SCHEMBL11458148,
OXLHUYOHAIHLSF-UHFFFAOYSA-N,
MFCD24555056,
N-ethyl-4-ethoxycarbonylmethylaniline,
ZINC146803676,
Benzeneacetic acid, 4-(ethylamino)-, ethyl ester,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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