Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | Ic1ccccc1CN[C@@H]1C2CCN([C@@H]1C(c1ccccc1)c1ccccc1)CC2 |
|---|---|
| IUPAC Name | (7R,8R)-7-[di(phenyl)methyl]-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine |
| InChIKey | WSLTYZVXORBNLB-KAYWLYCHSA-N |
| INCHI | 1S/C27H29IN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1 |
| Isomeric SMILES | C1CN2CCC1[C@H]([C@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5I |
| PubChem CID | 132629 |
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 | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Quinuclidines Phenylmethylamines Benzylamines Iodobenzenes Aralkylamines Aminopiperidines Aryl iodides Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Benzylamine - Quinuclidine - Phenylmethylamine - 3-aminopiperidine - Aralkylamine - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organoiodide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
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| Molecular Weight | 508.400 g/mol |
|---|---|
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 508.138 Da |
| Monoisotopic Mass | 508.138 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 501.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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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