| CAS Number | 1096856-13-1 |
| Catalog Number | AG019YO8(AGN-PC-0WO6WY) |
| Chemical Name | N-[(2,5-difluorophenyl)methyl]cyclopentanamine |
| IUPAC Name | N-[(2,5-difluorophenyl)methyl]cyclopentanamine |
| InChI | InChI=1S/C12H15F2N/c13-10-5-6-12(14)9(7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2 |
| InChI Key | LYQFNXDPPBYZDL-UHFFFAOYSA-N |
| MDL Number | MFCD11639639 |
| Molecular Formula | C12H15F2N |
| Molecular Weight | 211.2510 |
| SMILES | FC1=CC(CNC2CCCC2)=C(F)C=C1 |
| Synonyms | N-[(2,5-difluorophenyl)methyl]cyclopentanamine,
1096856-13-1,
ZINC37228234,
AKOS009461944,
MCULE-2615005267,
NE15225,
Z1193543045,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.256g/mol |
| Monoisotopic Mass | 211.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number