| CAS Number | 1241682-49-4 |
| Catalog Number | AG009ZAE(AGN-PC-0WB00S) |
| Chemical Name | (S)-1-(3-Fluoro-4-methylphenyl)ethan-1-amine |
| IUPAC Name | (1S)-1-(3-fluoro-4-methylphenyl)ethanamine |
| InChI | InChI=1S/C9H12FN/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5,7H,11H2,1-2H3/t7-/m0/s1 |
| InChI Key | LTXLBDDARARPQF-ZETCQYMHSA-N |
| MDL Number | MFCD06762068 |
| Molecular Formula | C9H12FN |
| Molecular Weight | 153.1967 |
| SMILES | N[C@@H](C)C1=CC=C(C(F)=C1)C |
| Synonyms | (1S)-1-(3-FLUORO-4-METHYLPHENYL)ETHYLAMINE,
1241682-49-4,
(S)-1-(3-Fluoro-4-methylphenyl)ethanamine,
SCHEMBL18280590,
MFCD06762068,
ZINC21948920,
AKOS006294136,
(1S)-1-(3-fluoro-4-methylphenyl)ethan-1-amine,
J-501765,
(AlphaS)-3-fluoro-alpha,4-dimethylbenzenemethanamine,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.2g/mol |
| Monoisotopic Mass | 153.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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