| CAS Number | 39201-76-8 |
| Catalog Number | AG00CLQ7(AGN-PC-0WOI9J) |
| Chemical Name | 3,5-Dimethoxy-4-(allyloxy)phenethylamine hydrochloride |
| IUPAC Name | 2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C13H19NO3.ClH/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3;/h4,8-9H,1,5-7,14H2,2-3H3;1H |
| InChI Key | JSXGQXQKZDAMEQ-UHFFFAOYSA-N |
| MDL Number | MFCD28405066 |
| Molecular Formula | C13H20ClNO3 |
| Molecular Weight | 273.7558 |
| SMILES | NCCC1=CC(OC)=C(OCC=C)C(OC)=C1.[H]Cl |
| Synonyms | 39201-76-8,
3,5-DIMETHOXY-4-(2-PROPENYLOXY)BENZENEETHANAMINE HCL,
3,5-Dimethoxy-4-(2-propenyloxy)benzeneethanamine hydrochloride,
MFCD28405066,
AKOS016014911,
BC600015,
2-(3,5-dimethoxy-4-prop-2-enoxyphenyl)ethanamine;hydrochloride,
2-(4-(allyloxy)-3,5-dimethoxyphenyl)ethanamine hydrochloride,
Allylescaline,
2-(4-(allyloxy)-3,5-dimethoxyphenyl)ethanamine hydrochloride;,
39201-75-7,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.757g/mol |
| Monoisotopic Mass | 273.113g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number