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Dodin - 96%, high purity , CAS No.2439-10-3
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
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
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.
Associated Targets(non-human)
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)
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
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