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

In stock
Item Number
D498399
Grouped product items
SKU Size
Availability
Price Qty
D498399-250mg
250mg
2
$287.90
View related series
Bacterial (3013)

Basic Description

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
Specifications & Purity 96%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

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

Associated Targets(non-human)

Colletotrichum fragariae (147 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488182346
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488182346
IUPAC Name acetic acid;2-dodecylguanidine
INCHI 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)
InChIKey YIKWKLYQRFRGPM-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCN=C(N)N.CC(=O)O
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=

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 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

Solution Calculators

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