| CAS Number | 954260-72-1 |
| Catalog Number | AG019UAF |
| Chemical Name | [6-(2,5-Dimethylphenoxy)pyridin-3-yl]methylamine |
| IUPAC Name | [6-(2,5-dimethylphenoxy)pyridin-3-yl]methanamine |
| InChI | InChI=1S/C14H16N2O/c1-10-3-4-11(2)13(7-10)17-14-6-5-12(8-15)9-16-14/h3-7,9H,8,15H2,1-2H3 |
| InChI Key | SOXVQJKTEITLAB-UHFFFAOYSA-N |
| MDL Number | MFCD09739534 |
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.2896 |
| SMILES | CC1=CC(OC2=NC=C(CN)C=C2)=C(C)C=C1 |
| Synonyms | [6-(2,5-dimethylphenoxy)pyridin-3-yl]methanamine,
954260-72-1,
[6-(2,5-dimethylphenoxy)pyridin-3-yl]methylamine,
AC1Q2J9V,
CTK8F2567,
ZINC22222580,
AKOS000146339,
EN300-41095,
Z1178484494,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.295g/mol |
| Monoisotopic Mass | 228.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number