| CAS Number | 1158580-37-0 |
| Catalog Number | AG01EJ59 |
| Chemical Name | [(4-ethoxy-3-methoxyphenyl)methyl](methyl)amine hydrochloride |
| IUPAC Name | 1-(4-ethoxy-3-methoxyphenyl)-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C11H17NO2.ClH/c1-4-14-10-6-5-9(8-12-2)7-11(10)13-3;/h5-7,12H,4,8H2,1-3H3;1H |
| InChI Key | WVRWQTURBBLCDA-UHFFFAOYSA-N |
| MDL Number | MFCD07108395 |
| Molecular Formula | C11H18ClNO2 |
| Molecular Weight | 231.7191 |
| SMILES | Cl.CCOC1=C(OC)C=C(CNC)C=C1 |
| Synonyms | [(4-ETHOXY-3-METHOXYPHENYL)METHYL](METHYL)AMINE HYDROCHLORIDE,
1158580-37-0,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.72g/mol |
| Monoisotopic Mass | 231.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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