| CAS Number | 953896-03-2 |
| Catalog Number | AG019MPC |
| Chemical Name | 1-[3-Methoxy-4-(propan-2-yloxy)phenyl]ethan-1-amine |
| IUPAC Name | 1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine |
| InChI | InChI=1S/C12H19NO2/c1-8(2)15-11-6-5-10(9(3)13)7-12(11)14-4/h5-9H,13H2,1-4H3 |
| InChI Key | NRBXQSDGZCXNRK-UHFFFAOYSA-N |
| MDL Number | MFCD09731933 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | COC1=C(OC(C)C)C=CC(C(N)C)=C1 |
| Synonyms | 1-[3-methoxy-4-(propan-2-yloxy)phenyl]ethan-1-amine,
1-(4-isopropoxy-3-methoxyphenyl)ethanamine,
EN300-36872,
953896-03-2,
AC1Q46CB,
SCHEMBL6376390,
CTK6J6951,
AKOS000139893,
MCULE-2834237728,
NE42247,
|
| Complexity | 185 |
| 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 | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number