| CAS Number | 871020-28-9 |
| Catalog Number | AG01BFPH(AGN-PC-0IBQBI) |
| Chemical Name | 3-Methyl-4-(pyridin-4-yloxy)aniline |
| IUPAC Name | 3-methyl-4-pyridin-4-yloxyaniline |
| InChI | InChI=1S/C12H12N2O/c1-9-8-10(13)2-3-12(9)15-11-4-6-14-7-5-11/h2-8H,13H2,1H3 |
| InChI Key | BEYGONQIOREWBK-UHFFFAOYSA-N |
| MDL Number | MFCD24126523 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | NC1=CC=C(OC2=CC=NC=C2)C(C)=C1 |
| Synonyms | 3-methyl-4-(pyridin-4-yloxy)aniline,
871020-28-9,
SCHEMBL4797567,
BEYGONQIOREWBK-UHFFFAOYSA-N,
ZINC98209864,
AKOS020141536,
NE17102,
Z1945695964,
|
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number