| CAS Number | 88741-50-8 |
| Catalog Number | AG01EHVK(AGN-PC-0VNOAT) |
| Chemical Name | {[4-(benzyloxy)-3-methoxyphenyl]methyl}(methyl)amine hydrochloride |
| IUPAC Name | 1-(3-methoxy-4-phenylmethoxyphenyl)-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C16H19NO2.ClH/c1-17-11-14-8-9-15(16(10-14)18-2)19-12-13-6-4-3-5-7-13;/h3-10,17H,11-12H2,1-2H3;1H |
| InChI Key | VKKXRAKTYYZULC-UHFFFAOYSA-N |
| MDL Number | MFCD07106771 |
| Molecular Formula | C16H20ClNO2 |
| Molecular Weight | 293.7885 |
| SMILES | Cl.CNCC1=CC(OC)=C(OCC2=CC=CC=C2)C=C1 |
| Synonyms | AKOS008030828,
MCULE-7264489491,
{[4-(BENZYLOXY)-3-METHOXYPHENYL]METHYL}(METHYL)AMINE HYDROCHLORIDE,
88741-50-8,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.791g/mol |
| Monoisotopic Mass | 293.118g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number