| CAS Number | 926262-82-0 |
| Catalog Number | AG019Z5R |
| Chemical Name | 1-(3-Fluoro-4-methylphenyl)ethan-1-amine |
| IUPAC Name | 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 |
| InChI Key | LTXLBDDARARPQF-UHFFFAOYSA-N |
| MDL Number | MFCD09041163 |
| Molecular Formula | C9H12FN |
| Molecular Weight | 153.1967 |
| SMILES | CC(C1=CC(F)=C(C)C=C1)N |
| Synonyms | 1-(3-fluoro-4-methylphenyl)ethan-1-amine,
926262-82-0,
(1R)-1-(3-fluoro-4-methylphenyl)ethan-1-amine,
1241682-38-1,
(S)-1-(3-Fluoro-4-methylphenyl)ethanamine,
1-(3-FLUORO-4-METHYLPHENYL)ETHANAMINE,
CTK6A4783,
AKOS000123420,
AKOS022473994,
MCULE-3793139048,
NE32513,
A1-07357,
Z1407004013,
(1R)-1-(3-FLUORO-4-METHYLPHENYL)ETHYLAMINE,
1241682-49-4,
|
| Complexity | 127 |
| 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 | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number