| CAS Number | 1171067-18-7 |
| Catalog Number | AG019MMI |
| Chemical Name | 1-[3-Methoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C13H21NO2.ClH/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4;/h5-7,9-10H,8,14H2,1-4H3;1H |
| InChI Key | QGXAGNMQJFUSMF-UHFFFAOYSA-N |
| MDL Number | MFCD10686923 |
| Molecular Formula | C13H22ClNO2 |
| Molecular Weight | 259.7723 |
| SMILES | Cl.COC1=C(OCC(C)C)C=CC(C(N)C)=C1 |
| Synonyms | 1171067-18-7,
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine hydrochloride,
1-(4-isobutoxy-3-methoxyphenyl)ethanamine hydrochloride,
AC1Q3C0S,
CTK6J7607,
AKOS016903682,
MCULE-4017567607,
NE23463,
EN300-36613,
Z372854118,
|
| Complexity | 196 |
| 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 | 5 |
| 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