≥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 | CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)Cl |
|---|---|
| IUPAC Name | 4-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
| InChIKey | RBEBSZBVRGALMI-UHFFFAOYSA-N |
| INCHI | 1S/C17H19ClN6/c1-23-8-10-24(11-9-23)13-4-2-12(3-5-13)20-17-21-15(18)14-6-7-19-16(14)22-17/h2-7H,8-11H2,1H3,(H2,19,20,21,22) |
| Molecular Weight | 342.800 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Pyrrolo[2,3-d]pyrimidines Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Halopyrimidines Aminopyrimidines and derivatives Aryl chlorides Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 342.800 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 342.136 Da |
| Monoisotopic Mass | 342.136 Da |
| Topological Polar Surface Area | 60.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| 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 |
![4-chloro-N-(4-(4-methylpiperazin-1-yl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine - ≥95% , CAS No.1142946-17-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)