| CAS Number | 1175787-04-8 |
| Catalog Number | AG019EU2(AGN-PC-0WNMQZ) |
| Chemical Name | ethyl 6-amino-5-methyl-1H-indole-2-carboxylate |
| IUPAC Name | ethyl 6-amino-5-methyl-1H-indole-2-carboxylate |
| InChI | InChI=1S/C12H14N2O2/c1-3-16-12(15)11-5-8-4-7(2)9(13)6-10(8)14-11/h4-6,14H,3,13H2,1-2H3 |
| InChI Key | YCHURLGIBRLTTL-UHFFFAOYSA-N |
| MDL Number | MFCD28165861 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | CCOC(=O)c1[nH]c2c(c1)cc(c(c2)N)C |
| Synonyms | 1175787-04-8,
ethyl 6-amino-5-methyl-1H-indole-2-carboxylate,
1H-Indole-2-carboxylic acid, 6-amino-5-methyl-, ethyl ester,
SCHEMBL18332191,
MFCD28165861,
ZINC12359069,
AKOS027470346,
SC-70160,
CS-0061581,
1H-Indole-2-carboxylic acid, 6-amino-5-methyl-, et,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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