| CAS Number | 1202006-13-0 |
| Catalog Number | AG01BVUQ(AGN-PC-0WOLKX) |
| Chemical Name | 3-(Tetrahydro-2H-pyran-4-yl)aniline |
| IUPAC Name | 3-(oxan-4-yl)aniline |
| InChI | InChI=1S/C11H15NO/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9H,4-7,12H2 |
| InChI Key | LRCBWZYCGVEGAR-UHFFFAOYSA-N |
| MDL Number | MFCD21099826 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | NC1=CC(C2CCOCC2)=CC=C1 |
| Synonyms | 1202006-13-0,
3-(oxan-4-yl)aniline,
3-(tetrahydro-2h-pyran-4-yl)aniline,
3 -(tetrahydro-2H-pyran-4-yl)aniline,
SCHEMBL1570447,
ZINC72193172,
AKOS015946794,
Z2692093683,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number