| CAS Number | 104774-96-1 |
| Catalog Number | AG00IOSN(AGN-PC-06DG2C) |
| Chemical Name | 2-[3-(trifluoromethyl)phenoxy]ethan-1-amine hydrochloride |
| IUPAC Name | 2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-2-1-3-8(6-7)14-5-4-13;/h1-3,6H,4-5,13H2;1H |
| InChI Key | PUCMINVFHFAQML-UHFFFAOYSA-N |
| MDL Number | MFCD00219506 |
| Molecular Formula | C9H11ClF3NO |
| Molecular Weight | 241.6379 |
| SMILES | Cl.NCCOC1=CC(C(F)(F)F)=CC=C1 |
| Synonyms | 104774-96-1,
1-(2-aminoethoxy)-3-(trifluoromethyl)benzene hydrochloride,
2-(3-(trifluoromethyl)phenoxy)ethan-1-amine hydrochloride,
2-[3-(trifluoromethyl)phenoxy]ethan-1-amine hydrochloride,
F1967-1682,
AC1Q3DEG,
CTK7E9157,
AKOS016905384,
MCULE-2954329304,
NE33258,
EN300-43469,
Z445129470,
Ethanamine, 2-[3-(trifluoromethyl)phenoxy]-, hydrochloride,
2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.638g/mol |
| Monoisotopic Mass | 241.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number