| CAS Number | 1251922-86-7 |
| Catalog Number | AG01A9PY |
| Chemical Name | 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline hydrochloride |
| IUPAC Name | 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline;hydrochloride |
| InChI | InChI=1S/C16H18FN.ClH/c1-11-4-7-14(8-5-11)13(3)18-16-10-12(2)6-9-15(16)17;/h4-10,13,18H,1-3H3;1H |
| InChI Key | DTMDXFYXCGZFBR-UHFFFAOYSA-N |
| MDL Number | MFCD16817424 |
| Molecular Formula | C16H19ClFN |
| Molecular Weight | 279.7802 |
| SMILES | Cl.CC(C1=CC=C(C)C=C1)NC1=C(F)C=CC(C)=C1 |
| Synonyms | 2-fluoro-5-methyl-N-[1-(4-methylphenyl)ethyl]aniline hydrochloride,
1251922-86-7,
AC1Q399K,
NE41285,
EN300-65786,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.783g/mol |
| Monoisotopic Mass | 279.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number