| CAS Number | 1170944-71-4 |
| Catalog Number | AG019UZ3 |
| Chemical Name | 1-[3-Methoxy-4-(3-methylbutoxy)phenyl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C14H23NO2.ClH/c1-10(2)7-8-17-13-6-5-12(11(3)15)9-14(13)16-4;/h5-6,9-11H,7-8,15H2,1-4H3;1H |
| InChI Key | ZAFTVPINGAWDNB-UHFFFAOYSA-N |
| MDL Number | MFCD11858042 |
| Molecular Formula | C14H24ClNO2 |
| Molecular Weight | 273.7989 |
| SMILES | Cl.COC1=C(OCCC(C)C)C=CC(C(N)C)=C1 |
| Synonyms | 1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethan-1-amine hydrochloride,
1170944-71-4,
AC1Q3C0Z,
CTK6J7684,
AKOS008099827,
MCULE-3890592342,
NE33267,
EN300-43266,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.801g/mol |
| Monoisotopic Mass | 273.15g/mol |
| Rotatable Bond Count | 6 |
| 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
Lot Number