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5-chloro-2-(piperidin-3-ylmethyl)-1H-benzimidazole , CAS No.936074-52-1
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Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | C1CC(CNC1)CC2=NC3=C(N2)C=C(C=C3)Cl |
|---|---|
| IUPAC Name | 6-chloro-2-(piperidin-3-ylmethyl)-1H-benzimidazole |
| InChIKey | MMOIJSZYUPRGBN-UHFFFAOYSA-N |
| INCHI | 1S/C13H16ClN3/c14-10-3-4-11-12(7-10)17-13(16-11)6-9-2-1-5-15-8-9/h3-4,7,9,15H,1-2,5-6,8H2,(H,16,17) |
| Isomeric SMILES | C1CC(CNC1)CC2=NC3=C(N2)C=C(C=C3)Cl |
| Alternate CAS | 936074-52-1 |
| PubChem CID | 16767415 |
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 | 249.740 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 249.103 Da |
| Monoisotopic Mass | 249.103 Da |
| Topological Polar Surface Area | 40.700 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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