| CAS Number | 1803581-57-8 |
| Catalog Number | AG00ASCA |
| Chemical Name | 1-(4-Fluoro-2-methoxyphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(4-fluoro-2-methoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12FNO.ClH/c1-6(11)8-4-3-7(10)5-9(8)12-2;/h3-6H,11H2,1-2H3;1H |
| InChI Key | FFOAXWXWUDSGCD-UHFFFAOYSA-N |
| MDL Number | MFCD28714696 |
| Molecular Formula | C9H13ClFNO |
| Molecular Weight | 205.6570 |
| SMILES | CC(C1=C(C=C(C=C1)F)OC)N.Cl |
| Synonyms | 1803581-57-8,
1-(4-fluoro-2-methoxyphenyl)ethan-1-amine hydrochloride,
(1R)-1-(4-fluoro-2-methoxyphenyl)ethan-1-amine hydrochloride,
1354970-56-1,
1354970-91-4,
(1S)-1-(4-fluoro-2-methoxyphenyl)ethan-1-amine hydrochloride,
1-(4-FLUORO-2-METHOXYPHENYL)ETHAN-1-AMINE HCL,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.657g/mol |
| Monoisotopic Mass | 205.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number