![[3-Chloro-2-(4-propionylpiperazin-1-yl)phenyl]amine , CAS No.905809-80-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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[3-Chloro-2-(4-propionylpiperazin-1-yl)phenyl]amine , CAS No.905809-80-5
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Storage
Room temperature
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)N |
|---|---|
| IUPAC Name | 1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]propan-1-one |
| InChIKey | IEASAPQGKRQJJF-UHFFFAOYSA-N |
| INCHI | 1S/C13H18ClN3O/c1-2-12(18)16-6-8-17(9-7-16)13-10(14)4-3-5-11(13)15/h3-5H,2,6-9,15H2,1H3 |
| Isomeric SMILES | CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)N |
| PubChem CID | 16481837 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 267.750 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 267.114 Da |
| Monoisotopic Mass | 267.114 Da |
| Topological Polar Surface Area | 49.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 292.000 |
| 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 |
Solution Calculators
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