| CAS Number | 100840-63-9 |
| Catalog Number | AG0094A7(AGN-PC-09TB2E) |
| Chemical Name | 3-(4-(Trifluoromethyl)phenoxy)propan-1-amine, HCl |
| IUPAC Name | 3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H12F3NO.ClH/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14;/h2-5H,1,6-7,14H2;1H |
| InChI Key | PVVRPXJDSVGEQT-UHFFFAOYSA-N |
| MDL Number | MFCD11036183 |
| Molecular Formula | C10H13ClF3NO |
| Molecular Weight | 255.6645 |
| SMILES | NCCCOc1ccc(cc1)C(F)(F)F.Cl |
| Synonyms | 100840-63-9,
3-(4-(TRIFLUOROMETHYL)PHENOXY)PROPAN-1-AMINE HYDROCHLORIDE,
3-(4-(Trifluoromethyl)phenoxy)propan-1-amine, HCl,
C10H12F3NO.HCl,
SCHEMBL1246238,
CTK8G4192,
DTXSID00702017,
MFCD11036183,
Z6319,
B-6235,
3-(4-(Trifluoromethyl)phenoxy)propan-1-amine HCl,
3-[4-(Trifluoromethyl)phenoxy]propan-1-amine--hydrogen chloride (1/1),
PVVRPXJDSVGEQT-UHFFFAOYSA-N,
3-[4-(trifluoromethyl)phenoxy]propan-1-amine,hydrochloride,
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| 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 | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number