| CAS Number | 104994-92-5 |
| Catalog Number | AG00HAK8(AGN-PC-00NRK6) |
| Chemical Name | 2-Methoxy-5-(pyridin-4-yl)aniline |
| IUPAC Name | 2-methoxy-5-pyridin-4-ylaniline |
| InChI | InChI=1S/C12H12N2O/c1-15-12-3-2-10(8-11(12)13)9-4-6-14-7-5-9/h2-8H,13H2,1H3 |
| InChI Key | FBAWXJMSEFDNOH-UHFFFAOYSA-N |
| MDL Number | MFCD14686295 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | COC1=C(N)C=C(C2=CC=NC=C2)C=C1 |
| Synonyms | 2-Methoxy-5-(pyridin-4-yl)aniline,
104994-92-5,
Benzenamine, 2-methoxy-5-(4-pyridinyl)-,
SCHEMBL10209481,
ZINC47216632,
AKOS010788378,
2-Methoxy-5-(pyridin-4-yl)benzenamine,
AJ-110822,
AX8287199,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.241g/mol |
| Monoisotopic Mass | 200.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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