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

Name: Dodin - 96% , CAS No.2439-10-3
SKU: D498399
Availability: InStock

CAS: 2439-10-3 Cat. No.: D498399 Formula: C₁₅H₃₃N₃O₂ Molecular Weight: 287.44 Beilstein Registry Number: 6546960 EC Number: 219-459-5

COA

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Dodin - 96% CAS No(2439-10-3) by Aladdin Scientific

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Synonyms

Shipped In

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Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

96%

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Names and Identifiers

Pubchem Sid	488182346
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182346
Canonical Smiles	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)
Isomeric SMILES	CCCCCCCCCCCCN=C(N)N.CC(=O)O
WGK Germany	3
RTECS	MF1750000
UN Number	3082
Packing Group	III
Molecular Weight	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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Guanidines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	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
Description	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
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

3D Structure

Associated Targets(non-human)

Colletotrichum fragariae (147 Activities)

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

Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
C2318476	Certificate of Analysis	Mar 24, 2023	D498399

Chemical and Physical Properties

Flash Point(°F)	>100 °C
Flash Point(°C)	>100 °C
Molecular Weight	287.440 g/mol
XLogP3
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 Å²
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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