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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 | C1CNCCC1CNC2=NC=C(C=C2)[N+](=O)[O-].Cl |
|---|---|
| IUPAC Name | 5-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride |
| InChIKey | ZJUDFEWLBCBKTB-UHFFFAOYSA-N |
| INCHI | 1S/C11H16N4O2.ClH/c16-15(17)10-1-2-11(14-8-10)13-7-9-3-5-12-6-4-9;/h1-2,8-9,12H,3-7H2,(H,13,14);1H |
| Molecular Weight | 272.73 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Aminopyridines and derivatives Piperidines Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Aminopyridine - Piperidine - Pyridine - Imidolactam - Heteroaromatic compound - Secondary aliphatic amine - Organic oxoazanium - Azacycle - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Organic salt - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
| Molecular Weight | 272.730 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 272.104 Da |
| Monoisotopic Mass | 272.104 Da |
| Topological Polar Surface Area | 82.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 250.000 |
| 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 | 2 |