≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Cinacalcet metabolite M4 (Rarechem AL BW 1078) is a metabolite of Cinacalcet. Cinacalcet is an allosteric agonist of Ca receptor.
| Canonical Smiles | C1=CC(=CC(=C1)C(F)(F)F)CCCN |
|---|---|
| IUPAC Name | 3-[3-(trifluoromethyl)phenyl]propan-1-amine |
| InChIKey | JMTLMFBJIQWJPW-UHFFFAOYSA-N |
| INCHI | 1S/C10H12F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7H,2,4,6,14H2 |
| Isomeric SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCCN |
| Alternate CAS | 104774-87-0 |
| Molecular Weight | 203.20 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropylamines |
| Alternative Parents | Trifluoromethylbenzenes Aralkylamines Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Phenylpropylamine - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine. |
| External Descriptors | Not available |
| Molecular Weight | 203.200 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 203.092 Da |
| Monoisotopic Mass | 203.092 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 167.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
H2508577