| CAS Number | 1209242-66-9 |
| Catalog Number | AG019X3E(AGN-PC-0WORZF) |
| Chemical Name | 4-(3-Bromophenyl)oxan-4-amine hydrochloride |
| IUPAC Name | 4-(3-bromophenyl)oxan-4-amine;hydrochloride |
| InChI | InChI=1S/C11H14BrNO.ClH/c12-10-3-1-2-9(8-10)11(13)4-6-14-7-5-11;/h1-3,8H,4-7,13H2;1H |
| InChI Key | PEPZIQCJVWKVNP-UHFFFAOYSA-N |
| MDL Number | MFCD13195968 |
| Molecular Formula | C11H15BrClNO |
| Molecular Weight | 292.5999 |
| SMILES | Cl.NC1(C2=CC(Br)=CC=C2)CCOCC1 |
| Synonyms | 4-(3-bromophenyl)oxan-4-amine hydrochloride,
1209242-66-9,
4-(3-Bromophenyl)tetrahydro-2H-pyran-4-amine hydrochloride,
AC1Q3CW8,
CTK5I8391,
AKOS026670876,
KS-7321,
MCULE-5819820415,
NE61786,
EN300-53951,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.601g/mol |
| Monoisotopic Mass | 291.003g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number