| CAS Number | 1016673-84-9 |
| Catalog Number | AG01AIAV |
| Chemical Name | (2-[(4-Methylcyclohexyl)oxy]pyridin-4-yl)methanamine |
| IUPAC Name | [2-(4-methylcyclohexyl)oxypyridin-4-yl]methanamine |
| InChI | InChI=1S/C13H20N2O/c1-10-2-4-12(5-3-10)16-13-8-11(9-14)6-7-15-13/h6-8,10,12H,2-5,9,14H2,1H3 |
| InChI Key | BEMYFGFNLBSDKS-UHFFFAOYSA-N |
| MDL Number | MFCD09807826 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | CC1CCC(OC2=NC=CC(CN)=C2)CC1 |
| Synonyms | {2-[(4-METHYLCYCLOHEXYL)OXY]PYRIDIN-4-YL}METHANAMINE,
1016673-84-9,
CTK7E6772,
ZINC19276535,
AKOS000157337,
NE14486,
EN300-77254,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.316g/mol |
| Monoisotopic Mass | 220.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number