| CAS Number | 104174-56-3 |
| Catalog Number | AG01AHE4 |
| Chemical Name | 1-(4,5-Dimethoxy-2-methylphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(4,5-dimethoxy-2-methylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C11H17NO2.ClH/c1-7-5-10(13-3)11(14-4)6-9(7)8(2)12;/h5-6,8H,12H2,1-4H3;1H |
| InChI Key | LOKFDUNPXCGBQD-UHFFFAOYSA-N |
| MDL Number | MFCD18483305 |
| Molecular Formula | C11H18ClNO2 |
| Molecular Weight | 231.7191 |
| SMILES | Cl.COC1=C(OC)C=C(C(N)C)C(C)=C1 |
| Synonyms | 1-(4,5-dimethoxy-2-methylphenyl)ethan-1-amine hydrochloride,
104174-56-3,
AKOS008090852,
MCULE-2506217107,
NE29986,
EN300-74415,
Z1266933882,
|
| Complexity | 175 |
| 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 | 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
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