| CAS Number | 1193388-26-9 |
| Catalog Number | AG019VYR |
| Chemical Name | [4-(3-bromophenyl)oxan-4-yl]methanamine hydrochloride |
| IUPAC Name | [4-(3-bromophenyl)oxan-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H16BrNO.ClH/c13-11-3-1-2-10(8-11)12(9-14)4-6-15-7-5-12;/h1-3,8H,4-7,9,14H2;1H |
| InChI Key | NVAGDFKSLDEAJV-UHFFFAOYSA-N |
| MDL Number | MFCD12197282 |
| Molecular Formula | C12H17BrClNO |
| Molecular Weight | 306.6265 |
| SMILES | Cl.NCC1(C2=CC(Br)=CC=C2)CCOCC1 |
| Synonyms | 1193388-26-9,
[4-(3-bromophenyl)oxan-4-yl]methanamine hydrochloride,
[4-(3-Bromophenyl)oxan-4-yl]methanaminehydrochloride,
(4-(3-Bromophenyl)tetrahydro-2H-pyran-4-yl)methanamine hydrochloride,
AC1Q3D5K,
CHEMBL3498175,
AKOS026670865,
KS-7256,
MCULE-2593798233,
NE22211,
EN300-49889,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.628g/mol |
| Monoisotopic Mass | 305.018g/mol |
| Rotatable Bond Count | 2 |
| 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