≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | C1CN(CCC1C(=O)NCCN2CCC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)CC2)C=O.Cl |
|---|---|
| IUPAC Name | 1-formyl-N-[2-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethyl]piperidine-4-carboxamide;hydrochloride |
| InChIKey | YZHGXYNLMHGNJZ-UHFFFAOYSA-N |
| INCHI | 1S/C29H33N3O2.ClH/c33-21-32-18-13-25(14-19-32)29(34)30-15-20-31-16-11-24(12-17-31)28-26-7-3-1-5-22(26)9-10-23-6-2-4-8-27(23)28;/h1-10,21,25H,11-20H2,(H,30,34);1H |
| Isomeric SMILES | C1CN(CCC1C(=O)NCCN2CCC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)CC2)C=O.Cl |
| Molecular Weight | 492.05 |
| Reaxy-Rn | 9177130 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9177130&ln= |
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 | Dibenzocycloheptenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzocycloheptenes |
| Alternative Parents | Piperidinecarboxamides Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzocycloheptene - Piperidinecarboxamide - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring. |
| External Descriptors | Not available |
| Solubility | Solvent:water, Max Conc. mg/mL: 49.2, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 49.2, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 492.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 491.234 Da |
| Monoisotopic Mass | 491.234 Da |
| Topological Polar Surface Area | 52.700 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 744.000 |
| 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 | 2 |
