| CAS Number | 1249599-74-3 |
| Catalog Number | AG01AJRE(AGN-PC-0WO2MP) |
| Chemical Name | 4-[(oxan-4-yl)methoxy]aniline |
| IUPAC Name | 4-(oxan-4-ylmethoxy)aniline |
| InChI | InChI=1S/C12H17NO2/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-4,10H,5-9,13H2 |
| InChI Key | VGQWFBBLLKGMTM-UHFFFAOYSA-N |
| MDL Number | MFCD16745314 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | NC1=CC=C(OCC2CCOCC2)C=C1 |
| Synonyms | 4-(oxan-4-ylmethoxy)aniline,
1249599-74-3,
SCHEMBL14320483,
ZINC52146349,
AKOS011670931,
NE20856,
EN300-81777,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number