N,N'-Diacetylhydrazine - ≥98% , CAS No.3148-73-0

CAS: 3148-73-0 Cat. No.: N159462 Molecular Weight: 116.12 Beilstein Registry Number: 2192 EC Number: 221-576-1

GRADE & PURITY ≥98%

Synonyms

Acetophenone, 4'-fluoro- | MFCD00008673 | Diacetylahydrazine | Hydrazine, 1,2-diacetyl- | NCGC00257653-01 | Trifluoroacetyl anhydride | Acetic acid, (p-fluorophenyl)- | NCGC00248525-01 | 1.2-diacetylhydrazine | DTXCID10390 | N'-Acetylacetohydrazide # | SC

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Acetophenone, 4'-fluoro- | MFCD00008673 | Diacetylahydrazine | Hydrazine, 1, 2-diacetyl- | NCGC00257653-01 | Trifluoroacetyl anhydride | Acetic acid, (p-fluorophenyl)- | NCGC00248525-01 | 1.2-diacetylhydrazine | DTXCID10390 | N'-Acetylacetohydrazide # | SC

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)NNC(=O)C
• IUPAC Name: N'-acetylacetohydrazide
• InChIKey: ZLHNYIHIHQEHJQ-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
• Isomeric SMILES: CC(=O)NNC(=O)C
• WGK Germany: 3
• Molecular Weight: 116.12
• Beilstein: 2192
• Reaxy-Rn: 1754018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754018&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azines
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azines. These are hydrazine derivatives in which the hydrazine group is conjugated to two aldehydes (forming aldazines) or ketones (forming ketazines).
• External Descriptors: carbohydrazide

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in Methanol:almost transparency
• Sensitivity: air sensitive，Moisture sensitive
• Boil Point(°C): 209 °C/15 mmHg
• Melt Point(°C): 137°C-142°C
• Molecular Weight: 116.120 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.059 Da
• Monoisotopic Mass: 116.059 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.600
• 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