| CAS Number | 2007915-96-8 |
| Catalog Number | AG01EFMY |
| Chemical Name | Di-tert-butyl 2-(2-ethoxy-2-oxoethyl)-6,7-dihydro-3H-imidazo[4,5-c]pyridine-3,5(4H)-dicarboxylate |
| IUPAC Name | ditert-butyl 2-(2-ethoxy-2-oxoethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-3,5-dicarboxylate |
| InChI | InChI=1S/C20H31N3O6/c1-8-27-16(24)11-15-21-13-9-10-22(17(25)28-19(2,3)4)12-14(13)23(15)18(26)29-20(5,6)7/h8-12H2,1-7H3 |
| InChI Key | TUHVMPYFKAHZOD-UHFFFAOYSA-N |
| MDL Number | MFCD30472063 |
| Molecular Formula | C20H31N3O6 |
| Molecular Weight | 409.4766 |
| SMILES | CCOC(=O)Cc1nc2CCN(Cc2n1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | 2007915-96-8,
Di-tert-butyl 2-(2-ethoxy-2-oxoethyl)-6,7-dihydro-3H-imidazo[4,5-c]pyridine-3,5(4H)-dicarboxylate,
MFCD30472063,
AKOS030628279,
ZINC498051115,
CS-0039444,
3H-Imidazo[4,5-c]pyridine-3,5(4H)-dicarboxylic acid, 2-(2-ethoxy-2-oxoethyl)-6,7-dihydro-, 3,5-bis(1,1-dimethylethyl) ester,
Di-t-butyl 2-(2-ethoxy-2-oxoethyl)-6,7-dihydro-3H-imidazo[4,5-c]pyridine-3,5(4H)-dicarboxylate,
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| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 409.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 409.483g/mol |
| Monoisotopic Mass | 409.221g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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