| CAS Number | 1376217-48-9 |
| Catalog Number | AG019YOA |
| Chemical Name | 1-(4-Fluoro-3-methylphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H12FN.ClH/c1-6-5-8(7(2)11)3-4-9(6)10;/h3-5,7H,11H2,1-2H3;1H |
| InChI Key | HZEFSEOLAJTAQO-UHFFFAOYSA-N |
| MDL Number | MFCD22196465 |
| Molecular Formula | C9H13ClFN |
| Molecular Weight | 189.6576 |
| SMILES | Cl.FC1=C(C=C(C=C1)C(C)N)C |
| Synonyms | 1-(4-fluoro-3-methylphenyl)ethan-1-amine hydrochloride,
1376217-48-9,
AK-42488,
AKOS032947626,
MCULE-3594274528,
NE16824,
4CH-019188,
4CH-019189,
Z1359429587,
(1R)-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride,
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride,
(S)-1-(4-Fluoro-3-methylphenyl)ethanamine hydrochloride,
(R)-1-(4-Fluoro-3-methylphenyl)ethanamine hydrochloride,
1213181-44-2,
1213096-70-8,
|
| Complexity | 127 |
| 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 | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number