| CAS Number | 2075820-33-4 |
| Catalog Number | AG01BND8 |
| Chemical Name | (S)-1-(4-FLUORO-2-METHYLPHENYL)ETHANAMINE HYDROCHLORIDE |
| IUPAC Name | (1S)-1-(4-fluoro-2-methylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12FN.ClH/c1-6-5-8(10)3-4-9(6)7(2)11;/h3-5,7H,11H2,1-2H3;1H/t7-;/m0./s1 |
| InChI Key | LSBXYEBMHQECPO-FJXQXJEOSA-N |
| MDL Number | MFCD16294096 |
| Molecular Formula | C9H13ClFN |
| Molecular Weight | 189.6576 |
| SMILES | C[C@H](N)C1=CC=C(F)C=C1C.[H]Cl |
| Synonyms | SCHEMBL19205712,
2075820-33-4,
(S)-1-(4-fluoro-2-methylphenyl)ethanamine hydrochloride,
(1S)-1-(4-FLUORO-2-METHYLPHENYL)ETHYLAMINE-HCl,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.658g/mol |
| Monoisotopic Mass | 189.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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