Acetophenone azine - ≥97% , CAS No.729-43-1

CAS: 729-43-1 Cat. No.: A354604 分子式: C₁₆H₁₆N₂ 分子量: 236.32 EC番号: 211-979-0

GRADE & PURITY ≥97%

Synonyms

MFCD00015011 | PhAc azine | A837678 | Ethanone, 1-phenyl-, azine | AS-10685 | Ethanone,1-phenyl-,2-(1-phenylethylidene)hydrazone | SR-01000631677-1 | Acetophenone, azine | Acetophenone-, azine | 1-phenyl-N-[(E)-1-phenylethylideneamino]ethanimine | Ethanon

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

MFCD00015011 | PhAc azine | A837678 | Ethanone, 1-phenyl-, azine | AS-10685 | Ethanone,1-phenyl-,2-(1-phenylethylidene)hydrazone | SR-01000631677-1 | Acetophenone, azine | Acetophenone-, azine | 1-phenyl-N-[(E)-1-phenylethylideneamino]ethanimine | Ethanon

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488195574
• カノニカル・スマイル: CC(=NN=C(C)C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: (E)-1-phenyl-N-[(E)-1-phenylethylideneamino]ethanimine
• InChIKey: MOKMQSIJAHPSQX-HBKJEHTGSA-N
• INCHI: 1S/C16H16N2/c1-13(15-9-5-3-6-10-15)17-18-14(2)16-11-7-4-8-12-16/h3-12H,1-2H3/b17-13+,18-14+
• 異性体SMILES: C/C(=N\N=C(\C1=CC=CC=C1)/C)/C2=CC=CC=C2
• 分子量: 236.32
• Reaxy-Rn: 745624
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=745624&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Hydrazines and derivatives
        • Level5 Azines
          • Level6 Ketazines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Azines
• Direct Parent: Ketazines
• Alternative Parents: Benzene and substituted derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Ketazine - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as ketazines. These are azines of ketones containing a moiety with the formula R2C=NN=CR2.
• 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

• 融点（°C）: 120-124 ℃
• 分子量: 236.310 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 236.131 Da
• Monoisotopic Mass: 236.131 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1