Information
Betahistine EP Impurity C (NSC19005) is structurally related to Betahistine and is a dimer of Betahistine. It is used as a reagent in the preparation of copper pyridylmethylethylenediamine dicyanamido polymeric complexes.
| Canonical Smiles | CN(CCC1=CC=CC=N1)CCC2=CC=CC=N2 |
|---|---|
| IUPAC Name | N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine |
| InChIKey | PQHKIDBZBKQYMR-UHFFFAOYSA-N |
| INCHI | 1S/C15H19N3/c1-18(12-8-14-6-2-4-10-16-14)13-9-15-7-3-5-11-17-15/h2-7,10-11H,8-9,12-13H2,1H3 |
| Isomeric SMILES | CN(CCC1=CC=CC=N1)CCC2=CC=CC=N2 |
| Molecular Weight | 241.33 |
| Reaxy-Rn | 405257 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=405257&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 | Pyridines and derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aralkylamine - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2530151 | Certificate of Analysis | Apr 30, 2024 | B412251 |
| E2415254 | Certificate of Analysis | Apr 30, 2024 | B412251 |
| E2415249 | Certificate of Analysis | Apr 30, 2024 | B412251 |
| E2415245 | Certificate of Analysis | Apr 30, 2024 | B412251 |
| E2415242 | Certificate of Analysis | Apr 30, 2024 | B412251 |
| B2426737 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| D2426095 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426739 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426738 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426723 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426736 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426735 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426728 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426727 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426726 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426725 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| B2426724 | Certificate of Analysis | Jan 18, 2024 | B412251 |
| Molecular Weight | 241.330 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 241.158 Da |
| Monoisotopic Mass | 241.158 Da |
| Topological Polar Surface Area | 29.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| 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 | 1 |
