| Pubchem Sid | 488202926 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202926 |
| Canonical Smiles | C1=CN=CC=C1C=NO |
| IUPAC Name | (NE)-N-(pyridin-4-ylmethylidene)hydroxylamine |
| InChIKey | OFYLBLSSPQTTHT-VMPITWQZSA-N |
| INCHI | 1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5+ |
| Isomeric SMILES | C1=CN=CC=C1/C=N/O |
| RTECS | NR9410000 |
| PubChem CID | 135460230 |
| Molecular Weight | 122.13 |
| Reaxy-Rn | 2079 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridines and derivatives |
| Alternative Parents | Heteroaromatic compounds Aldoximes Azacyclic compounds Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine - Heteroaromatic compound - Aldoxime - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. |
| 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 |
|---|---|---|---|
 K1722085 | Certificate of Analysis | Jun 12, 2025 | P160054 |
| K1722086 | Certificate of Analysis | Jun 12, 2025 | P160054 |
| K2414619 | Certificate of Analysis | Jul 06, 2024 | P160054 |
| K2414636 | Certificate of Analysis | Jul 06, 2024 | P160054 |
| D2325206 | Certificate of Analysis | May 12, 2023 | P160054 |
| Solubility | Soluble in water at 20°C 10 g/L. Soluble in DMSO and methanol. |
|---|---|
| Melt Point(°C) | 133 °C |
| Molecular Weight | 122.120 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 122.048 Da |
| Monoisotopic Mass | 122.048 Da |
| Topological Polar Surface Area | 45.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 97.200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
