| CAS Number | 1171786-31-4 |
| Catalog Number | AG019UY0 |
| Chemical Name | 1-(4-Butoxy-3-methoxyphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(4-butoxy-3-methoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C13H21NO2.ClH/c1-4-5-8-16-12-7-6-11(10(2)14)9-13(12)15-3;/h6-7,9-10H,4-5,8,14H2,1-3H3;1H |
| InChI Key | BTBNFXKMAZJGAZ-UHFFFAOYSA-N |
| MDL Number | MFCD11858026 |
| Molecular Formula | C13H22ClNO2 |
| Molecular Weight | 259.7723 |
| SMILES | Cl.CCCCOC1=C(OC)C=C(C(N)C)C=C1 |
| Synonyms | 1-(4-butoxy-3-methoxyphenyl)ethan-1-amine hydrochloride,
1171786-31-4,
AC1Q39PS,
CTK6E3459,
AKOS016903699,
MCULE-7054670019,
NE27187,
EN300-43171,
Z444311370,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.774g/mol |
| Monoisotopic Mass | 259.134g/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