| CAS Number | 160001-93-4 |
| Catalog Number | AG01A5FA(AGN-PC-0WO18M) |
| Chemical Name | 1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine |
| IUPAC Name | 1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine |
| InChI | InChI=1S/C12H14F3N/c13-12(14,15)10-5-3-9(4-6-10)11(16)7-1-2-8-11/h3-6H,1-2,7-8,16H2 |
| InChI Key | GJXBCMBARUYZGT-UHFFFAOYSA-N |
| MDL Number | MFCD09910053 |
| Molecular Formula | C12H14F3N |
| Molecular Weight | 229.2415 |
| SMILES | NC1(C2=CC=C(C(F)(F)F)C=C2)CCCC1 |
| Synonyms | 1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine,
160001-93-4,
1-[4-(Trifluoromethyl)phenyl]cyclopentanamine,
SCHEMBL8529977,
ZINC50602028,
AKOS011412153,
NE28824,
SY150291,
MFCD09910053 (95%),
1-(4-(trifluoromethyl)phenyl)cyclopentanamine,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.246g/mol |
| Monoisotopic Mass | 229.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number