| CAS Number | 1095127-74-4 |
| Catalog Number | AG01DXAR(AGN-PC-0WBK7O) |
| Chemical Name | Cyclopropyl-[4-(2,2,2-trifluoro-ethoxy)-benzyl]-amine |
| IUPAC Name | N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropanamine |
| InChI | InChI=1S/C12H14F3NO/c13-12(14,15)8-17-11-5-1-9(2-6-11)7-16-10-3-4-10/h1-2,5-6,10,16H,3-4,7-8H2 |
| InChI Key | HTJWWDQOWVBEHP-UHFFFAOYSA-N |
| MDL Number | MFCD11629940 |
| Molecular Formula | C12H14F3NO |
| Molecular Weight | 245.2409 |
| SMILES | FC(COC1=CC=C(CNC2CC2)C=C1)(F)F |
| Synonyms | 1095127-74-4,
CYCLOPROPYL-[4-(2,2,2-TRIFLUORO-ETHOXY)-BENZYL]-AMINE,
ZX-AH051853,
ZINC34658214,
AKOS009446544,
ABA-9374542,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.245g/mol |
| Monoisotopic Mass | 245.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number