| CAS Number | 910400-06-5 |
| Catalog Number | AG019Z0Y |
| Chemical Name | 2-(4-fluoro-2-methylphenyl)ethan-1-amine |
| IUPAC Name | 2-(4-fluoro-2-methylphenyl)ethanamine |
| InChI | InChI=1S/C9H12FN/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6H,4-5,11H2,1H3 |
| InChI Key | BUUVJVBLJJWZOG-UHFFFAOYSA-N |
| MDL Number | MFCD08449245 |
| Molecular Formula | C9H12FN |
| Molecular Weight | 153.1967 |
| SMILES | CC1=C(CCN)C=CC(F)=C1 |
| Synonyms | 2-(4-fluoro-2-methylphenyl)ethan-1-amine,
910400-06-5,
SCHEMBL17186265,
ZINC44397060,
AKOS005265382,
MCULE-6264035020,
NE13932,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number