Methylmaleic Hydrazide - ≥97% , CAS No.5754-18-7

CAS: 5754-18-7 Cat. No.: M157844 Molecular Weight: 126.12 EC Number: 227-276-7

GRADE & PURITY ≥97%

Synonyms

2-[[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]amino]ethanol;1,2-Dihydro-4-methyl-3,6-pyridazinedione | 2SJ6Y866TU | 3, 1,2-dihydro-4-methyl- | 4-Methyl-pyridazin-3,6-diol | SCHEMBL20059704 | 2-Butenedioic acid, cyclic hydrazide,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-[[4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-yl]amino]ethanol;1, 2-Dihydro-4-methyl-3, 6-pyridazinedione | 2SJ6Y866TU | 3, 1, 2-dihydro-4-methyl- | 4-Methyl-pyridazin-3, 6-diol | SCHEMBL20059704 | 2-Butenedioic acid, cyclic hydrazide,

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488185785
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185785
• Canonical Smiles: CC1=CC(=O)NNC1=O
• IUPAC Name: 4-methyl-1,2-dihydropyridazine-3,6-dione
• InChIKey: QAVYOWFNXMHVEL-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O2/c1-3-2-4(8)6-7-5(3)9/h2H,1H3,(H,6,8)(H,7,9)
• Isomeric SMILES: CC1=CC(=O)NNC1=O
• WGK Germany: 3
• Molecular Weight: 126.12
• Reaxy-Rn: 116399
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazinones
• Alternative Parents: Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridazinone - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.
• 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

Chemical and Physical Properties

• Melt Point(°C): 287°C(lit.)
• Molecular Weight: 126.110 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.043 Da
• Monoisotopic Mass: 126.043 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 195.000
• 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