| CAS Number | 1311315-36-2 |
| Catalog Number | AG01AHLZ |
| Chemical Name | 2-[4-(difluoromethoxy)-3-methoxyphenyl]ethan-1-amine hydrochloride |
| IUPAC Name | 2-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C10H13F2NO2.ClH/c1-14-9-6-7(4-5-13)2-3-8(9)15-10(11)12;/h2-3,6,10H,4-5,13H2,1H3;1H |
| InChI Key | DADAOGZOJJUWRS-UHFFFAOYSA-N |
| MDL Number | MFCD18785524 |
| Molecular Formula | C10H14ClF2NO2 |
| Molecular Weight | 253.6735 |
| SMILES | Cl.COC1=C(OC(F)F)C=CC(CCN)=C1 |
| Synonyms | 2-[4-(difluoromethoxy)-3-methoxyphenyl]ethan-1-amine hydrochloride,
1311315-36-2,
NE58760,
EN300-75151,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.674g/mol |
| Monoisotopic Mass | 253.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number