| CAS Number | 1427379-94-9 |
| Catalog Number | AG01A416 |
| Chemical Name | (4-Methoxyphenyl)(oxan-4-yl)methanamine hydrochloride |
| IUPAC Name | (4-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C13H19NO2.ClH/c1-15-12-4-2-10(3-5-12)13(14)11-6-8-16-9-7-11;/h2-5,11,13H,6-9,14H2,1H3;1H |
| InChI Key | BMDFOLZYCIGXNC-UHFFFAOYSA-N |
| MDL Number | MFCD23144189 |
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.7564 |
| SMILES | Cl.COC1=CC=C(C=C1)C(N)C1CCOCC1 |
| Synonyms | (4-methoxyphenyl)(oxan-4-yl)methanamine hydrochloride,
1427379-94-9,
NE49120,
Z1891776942,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.758g/mol |
| Monoisotopic Mass | 257.118g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number