| CAS Number | 1645523-09-6 |
| Catalog Number | AG01BET2 |
| Chemical Name | [(4-Fluoro-3-methylphenyl)methyl](methyl)amine hydrochloride |
| IUPAC Name | 1-(4-fluoro-3-methylphenyl)-N-methylmethanamine;hydrochloride |
| InChI | InChI=1S/C9H12FN.ClH/c1-7-5-8(6-11-2)3-4-9(7)10;/h3-5,11H,6H2,1-2H3;1H |
| InChI Key | ADLXBUWBZFPTNZ-UHFFFAOYSA-N |
| MDL Number | MFCD28118425 |
| Molecular Formula | C9H13ClFN |
| Molecular Weight | 189.6576 |
| SMILES | Cl.CNCC1=CC(C)=C(F)C=C1 |
| Synonyms | [(4-fluoro-3-methylphenyl)methyl](methyl)amine hydrochloride,
1645523-09-6,
AKOS030729967,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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