| CAS Number | 105326-54-3 |
| Catalog Number | AG0095WA(AGN-PC-00NL68) |
| Chemical Name | 3-(Pyridin-3-ylmethoxy)aniline |
| IUPAC Name | 3-(pyridin-3-ylmethoxy)aniline |
| InChI | InChI=1S/C12H12N2O/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1-8H,9,13H2 |
| InChI Key | OBYWDUCMQAJQHD-UHFFFAOYSA-N |
| MDL Number | MFCD09046941 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | NC1=CC(OCC2=CN=CC=C2)=CC=C1 |
| Synonyms | 3-(pyridin-3-ylmethoxy)aniline,
105326-54-3,
AC1Q51RH,
SCHEMBL3998456,
CTK7D9207,
ZINC21968041,
AKOS000130668,
MCULE-7370386217,
NE14187,
EN300-43724,
|
| Complexity | 187 |
| 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