| CAS Number | 1185096-87-0 |
| Catalog Number | AG01DL9B |
| Chemical Name | 3-[4-(Trifluoromethyl)phenoxy]benzylamine, HCl |
| IUPAC Name | [3-[4-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C14H12F3NO.ClH/c15-14(16,17)11-4-6-12(7-5-11)19-13-3-1-2-10(8-13)9-18;/h1-8H,9,18H2;1H |
| InChI Key | URFDMOXXSRRAAE-UHFFFAOYSA-N |
| MDL Number | MFCD03840101 |
| Molecular Formula | C14H13ClF3NO |
| Molecular Weight | 303.7073 |
| SMILES | Cl.NCC1=CC(OC2=CC=C(C=C2)C(F)(F)F)=CC=C1 |
| Synonyms | 1185096-87-0,
3-[4-(TRIFLUOROMETHYL)PHENOXY]BENZYLAMINE HCL,
3-[4-(TRIFLUOROMETHYL)PHENOXY]BENZYLAMINE HYDROCHLORIDE,
(3-(4-(Trifluoromethyl)phenoxy)phenyl)methanamine hydrochloride,
SCHEMBL923014,
CTK7E5760,
URFDMOXXSRRAAE-UHFFFAOYSA-N,
3PBA-Q07-1,
AR1568,
MFCD03840101,
AKOS027334861,
AS-45159,
X-2637,
3-[4-(Trifluoromethyl)phenoxy]benzylamine, HCl,
3-(4-Trifluoromethylphenoxy)-benzylamine hydrochloride,
3-(4-trifluoromethylphenoxy)benzylamine hydrochloride,
3-(4-Trifluoromethyl-phenoxy)-benzylamine hydrochloride,
N/A,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.709g/mol |
| Monoisotopic Mass | 303.064g/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