アセトン ジメチルヒドラゾン - ≥98% , CAS No.13483-31-3

CAS: 13483-31-3 Cat. No.: A151372 分子式: C₅H₁₂N₂ 分子量: 100.17 EC番号: 672-743-4

GRADE & PURITY ≥98%

Synonyms

FT-0691844 | 2-Propanone, dimethylhydrazone | N-methyl-N-(propan-2-ylideneamino)methanamine | acetone N,N-dimethylhydrazone | Butanoic acid,3,4-diamino-4-oxo-, (3S)-, | InChI=1/C5H12N2/c1-5(2)6-7(3)4/h1-4H | 1,1-dimethyl-2-(propan-2-ylidene)hydrazine | BS

Storage

Room temperature

Shipped In

ノーマル

Specifications

同義語

FT-0691844 | 2-Propanone, dimethylhydrazone | N-methyl-N-(propan-2-ylideneamino)methanamine | acetone N,N-dimethylhydrazone | Butanoic acid,3,4-diamino-4-oxo-, (3S)-, | InChI=1/C5H12N2/c1-5(2)6-7(3)4/h1-4H | 1,1-dimethyl-2-(propan-2-ylidene)hydrazine | BS

仕様と純度

≥98%

保管条件

Room temperature

入荷

ノーマル

純度

≥98%

名前と識別子

• パブケム・シド: 508811710
• カノニカル・スマイル: CC(=NN(C)C)C
• IUPAC Name: N-methyl-N-(propan-2-ylideneamino)methanamine
• InChIKey: IDSMDKUVIBSETN-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2/c1-5(2)6-7(3)4/h1-4H3
• 異性体SMILES: CC(=NN(C)C)C
• 分子量: 100.17
• Reaxy-Rn: 1738670
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738670&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Hydrazines and derivatives
        • Level5 Hydrazones
          • Level6 N-alkylated hydrazones

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Hydrazones
• Direct Parent: N-alkylated hydrazones
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-alkylated hydrazone - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-alkylated hydrazones. These are organonitrogen compounds containing a hydrazone group that is substituted with an alkyl group. They have the generic structure RNN=C(R')R\" (R= alkyl group; R',R\"= H or organyl 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

化学的性質と物理的性質

• 屈折率: 1.42
• 引火点（°C）: 20 °C
• 沸点（°C）: 95°C
• 分子量: 100.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.1 Da
• Monoisotopic Mass: 100.1 Da
• Topological Polar Surface Area: 15.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 70.100
• 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