| CAS Number | 1016526-27-4 |
| Catalog Number | AG01AH0G(AGN-PC-0WO8PH) |
| Chemical Name | (2-[(4-Methylpentan-2-yl)oxy]pyridin-4-yl)methanamine |
| IUPAC Name | [2-(4-methylpentan-2-yloxy)pyridin-4-yl]methanamine |
| InChI | InChI=1S/C12H20N2O/c1-9(2)6-10(3)15-12-7-11(8-13)4-5-14-12/h4-5,7,9-10H,6,8,13H2,1-3H3 |
| InChI Key | VOJHKEXYZCVKSW-UHFFFAOYSA-N |
| MDL Number | MFCD09804346 |
| Molecular Formula | C12H20N2O |
| Molecular Weight | 208.3000 |
| SMILES | CC(CC(OC1=NC=CC(CN)=C1)C)C |
| Synonyms | {2-[(4-METHYLPENTAN-2-YL)OXY]PYRIDIN-4-YL}METHANAMINE,
1016526-27-4,
CTK7E6771,
AKOS000161997,
AKOS026728890,
MCULE-2401744139,
NE38125,
EN300-73357,
Z1266827398,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.305g/mol |
| Monoisotopic Mass | 208.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number