≥95% 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 | CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)N)C(C)C |
|---|---|
| IUPAC Name | (1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropan-1-amine |
| InChIKey | QOFZYOSOELDKMC-JKWVGCSGSA-N |
| INCHI | 1S/C22H33N5/c1-15(2)22-25-24-16(3)27(22)20-13-18-9-10-19(14-20)26(18)12-11-21(23)17-7-5-4-6-8-17/h4-8,15,18-21H,9-14,23H2,1-3H3/t18-,19+,20?,21-/m0/s1 |
| Isomeric SMILES | CC1=NN=C(N1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C4=CC=CC=C4)N)C(C)C |
| PubChem CID | 11245572 |
| Molecular Weight | 367.53 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Tropane alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropane alkaloids |
| Alternative Parents | Aralkylamines Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Triazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tropane alkaloid - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - 1,2,4-triazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. |
| External Descriptors | Not available |
| Molecular Weight | 367.500 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 367.274 Da |
| Monoisotopic Mass | 367.274 Da |
| Topological Polar Surface Area | 60.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 463.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
![(1S)-3-[3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenyl-1-propanamine - ≥95% CAS No(376348-71-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/1/S1007757.jpg)