| CAS Number | 1247163-72-9 |
| Catalog Number | AG01ALDR |
| Chemical Name | (S)-Beta-fluorophenethylamine hydrochloride |
| IUPAC Name | (2S)-2-fluoro-2-phenylethanamine;hydrochloride |
| InChI | InChI=1S/C8H10FN.ClH/c9-8(6-10)7-4-2-1-3-5-7;/h1-5,8H,6,10H2;1H/t8-;/m1./s1 |
| InChI Key | ULMDYGAIJJWADH-DDWIOCJRSA-N |
| MDL Number | MFCD25976532 |
| Molecular Formula | C8H11ClFN |
| Molecular Weight | 175.6310 |
| SMILES | Cl.NC[C@H](C1=CC=CC=C1)F |
| Synonyms | 1247163-72-9,
(2S)-2-fluoro-2-phenylethan-1-amine hydrochloride,
(S)-beta-Fluorophenethylamine hydrochloride, 95%,
|
| Complexity | 89.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.056405g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.63g/mol |
| Monoisotopic Mass | 175.056405g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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