| CAS Number | 784129-18-6 |
| Catalog Number | AG00GA8I |
| Chemical Name | 1-(3,4,5-Trifluorophenyl)ethan-1-amine |
| IUPAC Name | 1-(3,4,5-trifluorophenyl)ethanamine |
| InChI | InChI=1S/C8H8F3N/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-4H,12H2,1H3 |
| InChI Key | QWYPAKQHZBBLFE-UHFFFAOYSA-N |
| MDL Number | MFCD16069639 |
| Molecular Formula | C8H8F3N |
| Molecular Weight | 175.1510 |
| SMILES | CC(C1=CC(F)=C(F)C(F)=C1)N |
| Synonyms | 1-(3,4,5-trifluorophenyl)ethan-1-amine,
784129-18-6,
AC1Q2B7K,
Benzenemethanamine, 3,4,5-trifluoro-alpha-methyl-,
SCHEMBL7795357,
AKOS010915159,
MCULE-2987203836,
EN300-71844,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.154g/mol |
| Monoisotopic Mass | 175.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number