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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sourires canoniques | CC(C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2Cl |
|---|---|
| IUPAC Name | 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine |
| InChIKey | ZVQUCWXZCKWZBP-CQSZACIVSA-N |
| INCHI | 1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1 |
| Isomères SMILES | C[C@H](C1=CC(=CC=C1)OC)NCCCC2=CC=CC=C2Cl |
| CAS alternatif | 148717-54-8 |
| PubChem CID | 158797 |
| Termes d'entrée MeSH | (R)-N-(3-methoxy-alpha-phenylethyl)-3-(2'-chlorphenyl)-1-(propylamine hydrochloride);A568 compound;KRN568;N-(2-chlorophenylpropyl)-1-(3-methoxyphenyl)ethylamine;N-(3-(2-chlorophenyl)propyl)-R-alpha-methyl-3-methoxybenxylamine hydrochloride;N-(3-methoxy-al |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Phenylpropylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropylamines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Dialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Ether - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - 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 |
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| Poids moléculaire | 303.800 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 303.139 Da |
| Monoisotopic Mass | 303.139 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 286.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
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