| CAS Number | 953730-01-3 |
| Catalog Number | AG019SVT |
| Chemical Name | [2-(2,3-dimethylphenoxy)pyridin-4-yl]methanamine |
| IUPAC Name | [2-(2,3-dimethylphenoxy)pyridin-4-yl]methanamine |
| InChI | InChI=1S/C14H16N2O/c1-10-4-3-5-13(11(10)2)17-14-8-12(9-15)6-7-16-14/h3-8H,9,15H2,1-2H3 |
| InChI Key | ISAJYANLQVWDBG-UHFFFAOYSA-N |
| MDL Number | MFCD09729222 |
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.2896 |
| SMILES | CC1=C(C)C(OC2=NC=CC(CN)=C2)=CC=C1 |
| Synonyms | [2-(2,3-dimethylphenoxy)pyridin-4-yl]methanamine,
953730-01-3,
ZINC22166704,
AKOS000138215,
MCULE-8755394166,
NE44018,
Z1270446335,
|
| 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 |
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Certificate of Analysis
Lot Number