| CAS Number | 1184231-96-6 |
| Catalog Number | AG01B7EQ |
| Chemical Name | 1-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzene |
| IUPAC Name | 2-ethyl-2-(4-fluorophenyl)butan-1-amine |
| InChI | InChI=1S/C12H18FN/c1-3-12(4-2,9-14)10-5-7-11(13)8-6-10/h5-8H,3-4,9,14H2,1-2H3 |
| InChI Key | MFMDEWUKBFLACO-UHFFFAOYSA-N |
| MDL Number | MFCD12774759 |
| Molecular Formula | C12H18FN |
| Molecular Weight | 195.2764 |
| SMILES | CCC(C1=CC=C(F)C=C1)(CN)CC |
| Synonyms | 1-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzene,
1184231-96-6,
ZINC37934538,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.281g/mol |
| Monoisotopic Mass | 195.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number