4-ACETYLPYRIDINE OXIME , CAS No.1194-99-6

CAS: 1194-99-6 Cat. No.: A166350 分子式: C₇H₈N₂O 分子量: 136.155 EC番号: 651-826-9

Synonyms

4-Acetylpyridine oxime|1194-99-6|107492-79-5|(NZ)-N-(1-pyridin-4-ylethylidene)hydroxylamine|(Z)-1-(pyridin-4-yl)ethanone oxime|1-Pyridin-4-yl-ethanone oxime|(E)-N-[1-(pyridin-4-yl)ethylidene]hydroxylamine|Ethanone, 1-(4-pyridinyl)-, oxime|(1E)-1-(4-pyridi

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

4-Acetylpyridine oxime | 1194-99-6 | 107492-79-5 | (NZ)-N-(1-pyridin-4-ylethylidene)hydroxylamine | (Z)-1-(pyridin-4-yl)ethanone oxime | 1-Pyridin-4-yl-ethanone oxime | (E)-N-[1-(pyridin-4-yl)ethylidene]hydroxylamine | Ethanone, 1-(4-pyridinyl)-, oxime | (1E)-1-(4-pyridi

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: CC(=NO)C1=CC=NC=C1
• IUPAC Name: (NZ)-N-(1-pyridin-4-ylethylidene)hydroxylamine
• InChIKey: OZJWWTXSMXGPMI-TWGQIWQCSA-N
• INCHI: 1S/C7H8N2O/c1-6(9-10)7-2-4-8-5-3-7/h2-5,10H,1H3/b9-6-
• 異性体SMILES: C/C(=N/O)/C1=CC=NC=C1
• 分子量: 136.155
• Reaxy-Rn: 81295
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81295&ln=

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: Ketoximes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Ketoxime - 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: Not available

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

化学的性質と物理的性質

• 分子量: 136.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 128.000
• 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

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 1194-99-6, the molecular formula is C7H8N2O, and the molecular weight is 136.155 g/mol. InChIKey OZJWWTXSMXGPMI-TWGQIWQCSA-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.