| CAS Number | 1170882-91-3 |
| Catalog Number | AG019UMS |
| Chemical Name | (4-[2-(Dimethylamino)ethoxy]-3-methoxyphenyl)methanamine dihydrochloride |
| IUPAC Name | 2-[4-(aminomethyl)-2-methoxyphenoxy]-N,N-dimethylethanamine;dihydrochloride |
| InChI | InChI=1S/C12H20N2O2.2ClH/c1-14(2)6-7-16-11-5-4-10(9-13)8-12(11)15-3;;/h4-5,8H,6-7,9,13H2,1-3H3;2*1H |
| InChI Key | BOEUTQSIVGMIQI-UHFFFAOYSA-N |
| MDL Number | MFCD11802532 |
| Molecular Formula | C12H22Cl2N2O2 |
| Molecular Weight | 297.2213 |
| SMILES | Cl.Cl.COC1=C(OCCN(C)C)C=CC(CN)=C1 |
| Synonyms | {4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl}methanamine dihydrochloride,
1170882-91-3,
AC1Q3AKG,
CTK6J7990,
AKOS016901001,
MCULE-4230701413,
NE24061,
EN300-42161,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.22g/mol |
| Monoisotopic Mass | 296.106g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number