Dodin - analytical standard , CAS No.2439-10-3

CAS: 2439-10-3 Cat. No.: D114564 分子式: C₁₅H₃₃N₃O₂ 分子量: 287.44 Beilstein Registry Number: 6546960 EC番号: 219-459-5

GRADE & PURITY Analytical standard

Synonyms

CYPREX | 1-Dodecylguanidinium acetate | C18723 | Kyselina 3-dodecylguanidinooctova | n-dodecylguanidinium acetate | NCGC00260279-01 | Guanidine, dodecyl-, acetate | Laurylguanidine acetate | Melprex Liquid Dodine | UNII-259C423Y98 | Dodecylguanidine aceta

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

CYPREX | 1-Dodecylguanidinium acetate | C18723 | Kyselina 3-dodecylguanidinooctova | n-dodecylguanidinium acetate | NCGC00260279-01 | Guanidine, dodecyl-, acetate | Laurylguanidine acetate | Melprex Liquid Dodine | UNII-259C423Y98 | Dodecylguanidine aceta

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

• パブケム・シド: 504752801
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752801
• カノニカル・スマイル: 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)
• 異性体SMILES: CCCCCCCCCCCCN=C(N)N.CC(=O)O
• WGKドイツ: 3
• RTECS: MF1750000
• UN番号: 3082
• 包装グループ: III
• 分子量: 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
    • 分類 Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Colletotrichum fragariae (147 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: >100 °C
• 引火点（°C）: >100 °C
• 分子量: 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

XLogP3

よくある質問

How should this product be stored?

Store at room temperature.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2439-10-3, the molecular formula is C15H33N3O2, and the molecular weight is 287.44 g/mol. InChIKey YIKWKLYQRFRGPM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.