| CAS Number | 937653-33-3 |
| Catalog Number | AG01AJLC |
| Chemical Name | 3-(3-ethoxy-4-methoxyphenyl)propan-1-amine |
| IUPAC Name | 3-(3-ethoxy-4-methoxyphenyl)propan-1-amine |
| InChI | InChI=1S/C12H19NO2/c1-3-15-12-9-10(5-4-8-13)6-7-11(12)14-2/h6-7,9H,3-5,8,13H2,1-2H3 |
| InChI Key | FUVLNAQPNFFSSS-UHFFFAOYSA-N |
| MDL Number | MFCD09034625 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | CCOC1=C(OC)C=CC(CCCN)=C1 |
| Synonyms | 3-(3-ethoxy-4-methoxyphenyl)propan-1-amine,
937653-33-3,
ZINC9245907,
AKOS000345155,
NE29695,
EN300-81029,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.289g/mol |
| Monoisotopic Mass | 209.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number