| CAS Number | 1019481-58-3 |
| Catalog Number | AG019LT7 |
| Chemical Name | N-[(2,4-difluorophenyl)methyl]cyclopentanamine |
| IUPAC Name | N-[(2,4-difluorophenyl)methyl]cyclopentanamine |
| InChI | InChI=1S/C12H15F2N/c13-10-6-5-9(12(14)7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2 |
| InChI Key | HFHQBXCRNKOJOB-UHFFFAOYSA-N |
| MDL Number | MFCD11139798 |
| Molecular Formula | C12H15F2N |
| Molecular Weight | 211.2510 |
| SMILES | FC1=CC(F)=C(CNC2CCCC2)C=C1 |
| Synonyms | N-[(2,4-difluorophenyl)methyl]cyclopentanamine,
1019481-58-3,
AC1Q4LP2,
ZINC19883323,
AKOS000226786,
MCULE-6792788558,
NE30831,
EN300-32585,
Z86137203,
|
| 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