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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.
| Canonical Smiles | C1COCCN1C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 4-(1-benzhydrylazetidin-3-yl)morpholine |
| InChIKey | WESDDKGEBHTDKM-UHFFFAOYSA-N |
| INCHI | 1S/C20H24N2O/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)22-15-19(16-22)21-11-13-23-14-12-21/h1-10,19-20H,11-16H2 |
| Isomeric SMILES | C1COCCN1C2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| Alternate CAS | 55438-65-8 |
| PubChem CID | 21183786 |
| Molecular Weight | 308.42 |
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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 | Aralkylamines Morpholines Trialkylamines Azetidines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylmethane - Aralkylamine - Morpholine - Oxazinane - Azetidine - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic 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 |
| Molecular Weight | 308.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.189 Da |
| Monoisotopic Mass | 308.189 Da |
| Topological Polar Surface Area | 15.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 333.000 |
| 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 |