Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
A compound that inhibits cell proliferation in cancer cell lines. It does this by being an irreversible mechanism-based inhibitor of LSD1. LSD1 is part of the family-dependant amine oxidases that include PAOs and MAOs.
| Pubchem Sid | 504772150 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772150 |
| Canonical Smiles | C1CNCCC1NC2CC2C3=CC=CC=C3 |
| IUPAC Name | N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine |
| InChIKey | BASFYRLYJAZPPL-UONOGXRCSA-N |
| INCHI | 1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1 |
| Isomeric SMILES | C1CNCCC1N[C@@H]2C[C@H]2C3=CC=CC=C3 |
| WGK Germany | 3 |
| Alternate CAS | 2102933-95-7 |
| Molecular Weight | 289.24 |
| Reaxy-Rn | 27208703 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27208703&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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aralkylamines |
| Alternative Parents | Aminopiperidines Benzene and substituted derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aralkylamine - 4-aminopiperidine - Benzenoid - Piperidine - Monocyclic benzene moiety - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. |
| External Descriptors | Not available |
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| Solubility | Soluble in PBS(pH7.2) (~10 mg/ml), ethanol (~0.1 mg/ml), DMSO (~25 mg/ml), DMF (~1 mg/ml), and water (20 mg/ml). |
|---|---|
| Molecular Weight | 216.320 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.163 Da |
| Monoisotopic Mass | 216.163 Da |
| Topological Polar Surface Area | 24.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
I2227268