2-Methylpropanimidohydrazide - ≥97% , CAS No.75276-52-7

CAS: 75276-52-7 Cat. No.: M994041 PubChem CID: 45358556

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)C(=NN)N
• IUPAC Name: N'-amino-2-methylpropanimidamide
• InChIKey: XKFHSCRGOBBOJU-UHFFFAOYSA-N
• INCHI: 1S/C4H11N3/c1-3(2)4(5)7-6/h3H,6H2,1-2H3,(H2,5,7)
• Isomeric SMILES: CC(C)/C(=N/N)/N
• PubChem CID: 45358556

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Amidrazones

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Amidrazones
• Alternative Parents: Hydrazones Amidines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid amidrazone - Hydrazone - Amidine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as amidrazones. These are organic compounds containing the carboxylic acid amidrazone functional group.
• 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

• Molecular Weight: 101.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 101.095 Da
• Monoisotopic Mass: 101.095 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 75.000
• 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