| CAS Number | 1019629-72-1 |
| Catalog Number | AG01AAU1 |
| Chemical Name | N-[(2,6-difluorophenyl)methyl]cyclopentanamine |
| IUPAC Name | N-[(2,6-difluorophenyl)methyl]cyclopentanamine |
| InChI | InChI=1S/C12H15F2N/c13-11-6-3-7-12(14)10(11)8-15-9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2 |
| InChI Key | CMZLQSQTPIUGND-UHFFFAOYSA-N |
| MDL Number | MFCD11139802 |
| Molecular Formula | C12H15F2N |
| Molecular Weight | 211.2510 |
| SMILES | FC1=C(CNC2CCCC2)C(F)=CC=C1 |
| Synonyms | N-[(2,6-difluorophenyl)methyl]cyclopentanamine,
1019629-72-1,
AC1Q4MUV,
ZINC19883328,
AKOS000227048,
MCULE-1165124539,
NE31387,
EN300-69564,
|
| Complexity | 182 |
| 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