ジメトリダゾール - ≥97% , CAS No.551-92-8

CAS: 551-92-8 Cat. No.: D107361 分子式: C₅H₇N₃O₂ 分子量: 141.13 EC番号: 209-001-2

GRADE & PURITY ≥97%

Synonyms

SCHEMBL63278 | STL259130 | Dimetridazolum | Tox21_201618 | 1H-Imidazole, 1,2-dimethyl-5-nitro- | CCG-266155 | NCGC00249084-02 | RP-8595 | EINECS 209-001-2 | RP 8595 | BRN 0130665 | CAS-551-92-8 | D1564 | Dimetridazole 1000 microg/mL in Acetonitrile | Dime

Storage

2-8℃で保管、アルゴン充填

Shipped In

濡れた氷

Specifications

同義語

SCHEMBL63278 | STL259130 | Dimetridazolum | Tox21_201618 | 1H-Imidazole, 1,2-dimethyl-5-nitro- | CCG-266155 | NCGC00249084-02 | RP-8595 | EINECS 209-001-2 | RP 8595 | BRN 0130665 | CAS-551-92-8 | D1564 | Dimetridazole 1000 microg/mL in Acetonitrile | Dime

仕様と純度

≥97%

保管条件

2-8℃で保管、アルゴン充填

入荷

濡れた氷

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

• パブケム・シド: 508812254
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/508812254
• カノニカル・スマイル: CC1=NC=C(N1C)[N+](=O)[O-]
• IUPAC Name: 1,2-dimethyl-5-nitroimidazole
• InChIKey: IBXPYPUJPLLOIN-UHFFFAOYSA-N
• INCHI: 1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3
• 異性体SMILES: CC1=NC=C(N1C)[N+](=O)[O-]
• 分子量: 141.13
• Reaxy-Rn: 130665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=130665&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Nitroimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Nitroimidazoles
• Alternative Parents: Nitroaromatic compounds 1,2,5-trisubstituted imidazoles N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - N-substituted imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility in water: Practically insoluble; Very soluble in Alcohol; Very slightly soluble in Ether
• 感度: air sensitive& heat sensitive
• 融点（°C）: 138°C
• 分子量: 141.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 141.054 Da
• Monoisotopic Mass: 141.054 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 144.000
• 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