| CAS Number | 1380300-58-2 |
| Catalog Number | AG01B70Z |
| Chemical Name | 4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-amine hydrochloride |
| IUPAC Name | 4-(4-methoxyphenyl)oxan-4-amine;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-14-11-4-2-10(3-5-11)12(13)6-8-15-9-7-12;/h2-5H,6-9,13H2,1H3;1H |
| InChI Key | BOXHLGRCTOLVLO-UHFFFAOYSA-N |
| MDL Number | MFCD22375792 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.COC1=CC=C(C2(CCOCC2)N)C=C1 |
| Synonyms | 4-(4-Methoxyphenyl)oxan-4-amine hydrochloride,
1380300-58-2,
4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-amine hydrochloride,
ZX-RL005552,
AKOS027390844,
KS-7324,
OR306468,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number