3-Pyridinealdoxime - ≥98% , CAS No.1193-92-6

CAS: 1193-92-6 Cat. No.: P166345 分子式: C₆H₆N₂O 分子量: 122.12 EC番号: 214-782-8 PubChem CID: 5324568

グレード＆純度 ≥98%

Synonyms

(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine | NSC-66485 | YBKOPFQCLSPTPV-VMPITWQZSA-N | (E)-N-[(pyridin-3-yl)methylidene]hydroxylamine | Acidum acetylsalicylicum | 3-Pyridinecarboxaldehyde, oxime | Nicotinaldoxime | (3E)-pyridine-3-carbaldehyde oxime |

Storage

Room temperature

Shipped In

Normal

仕様

同義語

(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine | NSC-66485 | YBKOPFQCLSPTPV-VMPITWQZSA-N | (E)-N-[(pyridin-3-yl)methylidene]hydroxylamine | Acidum acetylsalicylicum | 3-Pyridinecarboxaldehyde, oxime | Nicotinaldoxime | (3E)-pyridine-3-carbaldehyde oxime |

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488195353

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488195353

カノニカル・スマイル

C1=CC(=CN=C1)C=NO

IUPAC Name

(NE)-N-(pyridin-3-ylmethylidene)hydroxylamine

InChIKey

YBKOPFQCLSPTPV-VMPITWQZSA-N

INCHI

1S/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H/b8-5+

異性体SMILES

C1=CC(=CN=C1)/C=N/O

WGKドイツ

3

RTECS

UT4060000

PubChem CID

5324568

分子量

122.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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: pyridines - aldoxime

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 148-153℃
• 分子量: 122.120 g/mol
• XLogP3: 0.600
• 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: 103.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1193-92-6, the molecular formula is C6H6N2O, and the molecular weight is 122.12 g/mol. InChIKey YBKOPFQCLSPTPV-VMPITWQZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.