| CAS Number | 953890-39-6 |
| Catalog Number | AG01B51A |
| Chemical Name | 2-METHOXY-1-(3-METHOXYPHENYL)ETHAN-1-AMINE |
| IUPAC Name | 2-methoxy-1-(3-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C10H15NO2/c1-12-7-10(11)8-4-3-5-9(6-8)13-2/h3-6,10H,7,11H2,1-2H3 |
| InChI Key | HNSSQJYZMYXKDY-UHFFFAOYSA-N |
| MDL Number | MFCD09728116 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | COCC(C1=CC(OC)=CC=C1)N |
| Synonyms | 2-methoxy-1-(3-methoxyphenyl)ethan-1-amine,
953890-39-6,
SCHEMBL4032413,
AKOS009139658,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number