| CAS Number | 2059949-49-2 |
| Catalog Number | AG01C03C |
| Chemical Name | 3-(aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one hydrochloride |
| IUPAC Name | 3-(aminomethyl)-6-tert-butyl-1H-pyridin-2-one;hydrochloride |
| InChI | InChI=1S/C10H16N2O.ClH/c1-10(2,3)8-5-4-7(6-11)9(13)12-8;/h4-5H,6,11H2,1-3H3,(H,12,13);1H |
| InChI Key | UKNJFDAQTWDQQB-UHFFFAOYSA-N |
| MDL Number | MFCD30497801 |
| Molecular Formula | C10H17ClN2O |
| Molecular Weight | 216.7078 |
| SMILES | Cl.CC(C1NC(=O)C(CN)=CC=1)(C)C |
| Synonyms | 3-(aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one hydrochloride,
2059949-49-2,
Z2696618738,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.709g/mol |
| Monoisotopic Mass | 216.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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