Dodin - 96% , CAS No.2439-10-3

CAS: 2439-10-3 Cat. No.: D498399 Fórmula: C₁₅H₃₃N₃O₂ Peso molecular: 287.44 Beilstein Registry Number: 6546960 Número CE: 219-459-5

Synonyms

Dodine|2439-10-3|Dodin|n-Dodecylguanidine acetate|1-Dodecylguanidine acetate|Dodecylguanidine acetate|Carpene|Melprex|Guanidine, dodecyl-, monoacetate|Laurylguanidine acetate|Dodecylguanidine monoacetate|1-Dodecylguanidinium acetate|DTXSID3020548|CHEBI:74

Shipped In

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Specifications

Sinónimos

Dodine | 2439-10-3 | Dodin | n-Dodecylguanidine acetate | 1-Dodecylguanidine acetate | Dodecylguanidine acetate | Carpene | Melprex | Guanidine, dodecyl-, monoacetate | Laurylguanidine acetate | Dodecylguanidine monoacetate | 1-Dodecylguanidinium acetate | DTXSID3020548 | CHEBI:74

Especificações e pureza

96%

Enviado em

Normal

Nomes e identificadores

• Pubchem Sid: 488182346
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182346
• Sorrisos canónicos: CCCCCCCCCCCCN=C(N)N.CC(=O)O
• IUPAC Name: acetic acid;2-dodecylguanidine
• InChIKey: YIKWKLYQRFRGPM-UHFFFAOYSA-N
• INCHI: 1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)
• SMILES isoméricas: CCCCCCCCCCCCN=C(N)N.CC(=O)O
• WGK Alemanha: 3
• RTECS: MF1750000
• Número UN: 3082
• Grupo de embalagem: III
• Peso molecular: 287.44
• Beilstein: 6546960
• Reaxy-Rn: 6786108
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6786108&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• External Descriptors: Aliphatic nitrogen fungicides

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

Alvos associados (não humanos)

Colletotrichum fragariae (147 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°F): >100 °C
• Ponto de inflamação (°C): >100 °C
• Peso molecular: 287.440 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 287.257 Da
• Monoisotopic Mass: 287.257 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 194.000
• 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: 2

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