| CAS Number | 1955506-23-6 |
| Catalog Number | AG01B46G |
| Chemical Name | [(4-methoxyphenyl)methyl](2,2,2-trifluoroethyl)amine hydrochloride |
| IUPAC Name | 2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C10H12F3NO.ClH/c1-15-9-4-2-8(3-5-9)6-14-7-10(11,12)13;/h2-5,14H,6-7H2,1H3;1H |
| InChI Key | BXPZPYRCGJBLFQ-UHFFFAOYSA-N |
| MDL Number | MFCD29991774 |
| Molecular Formula | C10H13ClF3NO |
| Molecular Weight | 255.6645 |
| SMILES | Cl.COC1=CC=C(CNCC(F)(F)F)C=C1 |
| Synonyms | 1955506-23-6,
[(4-methoxyphenyl)methyl](2,2,2-trifluoroethyl)amine hydrochloride,
MFCD29991774,
2,2,2-trifluoro-N-(4-methoxybenzyl)ethanamine hydrochloride,
2,2,2-Trifluoro-N-(4-methoxybenzyl)ethan-1-amine hydrochloride,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.665g/mol |
| Monoisotopic Mass | 255.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number