| CAS Number | 1016720-56-1 |
| Catalog Number | AG019UUN |
| Chemical Name | 2-[(2-methoxyphenoxy)methyl]aniline |
| IUPAC Name | 2-[(2-methoxyphenoxy)methyl]aniline |
| InChI | InChI=1S/C14H15NO2/c1-16-13-8-4-5-9-14(13)17-10-11-6-2-3-7-12(11)15/h2-9H,10,15H2,1H3 |
| InChI Key | QUITYLJZRSSRFR-UHFFFAOYSA-N |
| MDL Number | MFCD09802534 |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.2744 |
| SMILES | COC1=C(OCC2=C(N)C=CC=C2)C=CC=C1 |
| Synonyms | 2-(2-methoxyphenoxymethyl)aniline,
1016720-56-1,
AC1Q476K,
CTK7B1728,
2-[(2-methoxyphenoxy)methyl]aniline,
ZINC19275542,
AKOS000156699,
MCULE-4103845933,
NE52226,
EN300-42880,
Z444349816,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.279g/mol |
| Monoisotopic Mass | 229.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number