≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CS(=O)(=O)O.C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5 |
|---|---|
| IUPAC Name | 12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;methanesulfonic acid |
| InChIKey | CWPNPYVNPOAMHY-UHFFFAOYSA-N |
| INCHI | 1S/C20H26N2.CH4O3S/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18;1-5(2,3)4/h9-10,13-14,18,21H,1-8,11-12H2;1H3,(H,2,3,4) |
| Isomeric SMILES | CS(=O)(=O)O.C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5 |
| PubChem CID | 54792409 |
| Molecular Weight | 390.54 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Carbazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carbazoles |
| Alternative Parents | 3-alkylindoles Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Carbazole - 3-alkylindole - Indole - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
| External Descriptors | racemate |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 39.05, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 390.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 390.198 Da |
| Monoisotopic Mass | 390.198 Da |
| Topological Polar Surface Area | 79.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 495.000 |
| 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 | 2 |
