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

CAS: 2439-10-3 Cat. No.: D114564 분자식: C₁₅H₃₃N₃O₂ 분자량: 287.44 Beilstein Registry Number: 6546960 EC 번호: 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

동의어

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

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

• Pubchem Sid: 504752801
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752801
• 정식 스마일: 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)
• 이성체 SMILES: CCCCCCCCCCCCN=C(N)N.CC(=O)O
• WGK 독일: 3
• RTECS: MF1750000
• UN 번호: 3082
• 포장 그룹: III
• 분자량: 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
    • 분류 Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

Colletotrichum fragariae (147 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): >100 °C
• 발화점(°C): >100 °C
• 분자량: 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

자주 묻는 질문

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.