≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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.
| Canonical Smiles | CC1=C(C=C(C=C1)NCCC(C2=CC3=CC=CC=C3C=C2)O)F |
|---|---|
| IUPAC Name | 3-(3-fluoro-4-methylanilino)-1-naphthalen-2-ylpropan-1-ol |
| InChIKey | NGWTUEACQNWNGZ-UHFFFAOYSA-N |
| INCHI | 1S/C20H20FNO/c1-14-6-9-18(13-19(14)21)22-11-10-20(23)17-8-7-15-4-2-3-5-16(15)12-17/h2-9,12-13,20,22-23H,10-11H2,1H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)NCCC(C2=CC3=CC=CC=C3C=C2)O)F |
| PubChem CID | 5103861 |
| Molecular Weight | 309.38 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | Phenylalkylamines Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Fluorobenzenes Aryl fluorides 1,3-aminoalcohols Secondary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthalene - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3-aminoalcohol - Secondary alcohol - Secondary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic alcohol - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 309.400 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 309.153 Da |
| Monoisotopic Mass | 309.153 Da |
| Topological Polar Surface Area | 32.299 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
