Acetone azine - ≥95% , CAS No.627-70-3

CAS: 627-70-3 Cat. No.: A340946 Fórmula: C₆H₁₂N₂ Peso molecular: 112.17 Número EC: 211-009-6

GRADE & PURITY ≥95%

Synonyms

1,1,4,4-TETRAMETHYL-2,3-DIAZABUTA-1,3-DIENE | Dimethyl ketazine | Acetone ketazine | 2-Propanone 2-(1-methylethylidene)hydrazone | Acetazine

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

1,1,4,4-TETRAMETHYL-2,3-DIAZABUTA-1,3-DIENE | Dimethyl ketazine | Acetone ketazine | 2-Propanone 2-(1-methylethylidene)hydrazone | Acetazine

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504755342

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755342

Sonrisas canónicas

CC(=NN=C(C)C)C

IUPAC Name

N-(propan-2-ylideneamino)propan-2-imine

InChIKey

PFLUPZGCTVGDLV-UHFFFAOYSA-N

INCHI

1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3

Isómeros SMILES

CC(=NN=C(C)C)C

Peso molecular

112.17

Reaxy-Rn

956583

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956583&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Azines
• Direct Parent: Ketazines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketazine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: n20/D 1.454 (lit.)
• Punto de ebullición (°C): 133° C at 763 mmHg
• Punto de fusión (°C): -125° C
• Peso molecular: 112.170 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.1 Da
• Monoisotopic Mass: 112.1 Da
• Topological Polar Surface Area: 24.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.500
• 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: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 627-70-3, the molecular formula is C6H12N2, and the molecular weight is 112.17 g/mol. InChIKey PFLUPZGCTVGDLV-UHFFFAOYSA-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.