| CAS Number | 1416440-22-6 |
| Catalog Number | AG001GTC(AGN-PC-0WCY3U) |
| Chemical Name | 3-Quinolinecarboxylic acid, 5-amino-, ethyl ester |
| IUPAC Name | ethyl 5-aminoquinoline-3-carboxylate |
| InChI | InChI=1S/C12H12N2O2/c1-2-16-12(15)8-6-9-10(13)4-3-5-11(9)14-7-8/h3-7H,2,13H2,1H3 |
| InChI Key | CRHQHVDNHKUISX-UHFFFAOYSA-N |
| MDL Number | MFCD22690556 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | NC1=C2C=C(C=NC2=CC=C1)C(=O)OCC |
| Synonyms | ETHYL 5-AMINOQUINOLINE-3-CARBOXYLATE,
1416440-22-6,
MFCD22690556,
ZINC91692881,
AKOS026751534,
AS-41391,
SC-68172,
3-Quinolinecarboxylic acid, 5-amino-, ethyl ester,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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