| CAS Number | 1188479-28-8 |
| Catalog Number | AG00HESV(AGN-PC-0WR4HH) |
| Chemical Name | 4-[4-(Trifluoromethyl)phenoxy]benzylamine, HCl |
| IUPAC Name | [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C14H12F3NO.ClH/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12;/h1-8H,9,18H2;1H |
| InChI Key | UIPBFSAMGQHBPR-UHFFFAOYSA-N |
| MDL Number | MFCD03840154 |
| Molecular Formula | C14H13ClF3NO |
| Molecular Weight | 303.7073 |
| SMILES | Cl.NCC1=CC=C(OC2=CC=C(C(F)(F)F)C=C2)C=C1 |
| Synonyms | 1188479-28-8,
4-[4-(TRIFLUOROMETHYL)PHENOXY]BENZYLAMINE HCL,
4-[4-(Trifluoromethyl)phenoxy]benzylamine, HCl,
(4-(4-(Trifluoromethyl)phenoxy)phenyl)methanamine hydrochloride,
{4-[4-(trifluoromethyl)phenoxy]phenyl}methanamine hydrochloride,
4-[4-(TRIFLUOROMETHYL)PHENOXY]BENZYLAMINE HYDROCHLORIDE,
SCHEMBL4373482,
CTK7E4898,
4PBA-Q07-1,
AR1877,
MFCD03840154,
AKOS027334867,
AS-45228,
X-2235,
4-(4-Trifluoromethylphenoxy)-benzylamine hydrochloride,
4-(4-Trifluoromethyl-phenoxy)-benzylamine hydrochloride,
|
| Complexity | 266 |
| 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