| CAS Number | 105350-47-8 |
| Catalog Number | AG019N4B(AGN-PC-00NL67) |
| Chemical Name | 3-[(pyridin-4-yl)methoxy]aniline |
| IUPAC Name | 3-(pyridin-4-ylmethoxy)aniline |
| InChI | InChI=1S/C12H12N2O/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-8H,9,13H2 |
| InChI Key | SGZDHKIKCCYMKB-UHFFFAOYSA-N |
| MDL Number | MFCD06825511 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | NC1=CC(OCC2=CC=NC=C2)=CC=C1 |
| Synonyms | 3-(pyridin-4-ylmethoxy)aniline,
105350-47-8,
AC1Q51RG,
SCHEMBL10032957,
CTK7D9211,
ZINC22164887,
AKOS000137247,
MCULE-9690757569,
NE59524,
EN300-39365,
|
| Complexity | 181 |
| 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 | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number