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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 | C1CC2(C1N)CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 2-benzhydryl-2-azaspiro[3.3]heptan-7-amine |
| InChIKey | DSZKDNIUEMPRKJ-UHFFFAOYSA-N |
| INCHI | 1S/C19H22N2/c20-17-11-12-19(17)13-21(14-19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2 |
| Isomeric SMILES | C1CC2(C1N)CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
| Alternate CAS | 1263296-82-7 |
| PubChem CID | 71743801 |
| Molecular Weight | 278.4 |
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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 Trialkylamines Azetidines Azacyclic compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Azetidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - 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 |
| Molecular Weight | 278.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 278.178 Da |
| Monoisotopic Mass | 278.178 Da |
| Topological Polar Surface Area | 29.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 331.000 |
| 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 |