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4-Tridecanone , CAS No.26215-90-7

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4-Tridecanone , CAS No.26215-90-7

COA

Cas Number: 26215-90-7
Molecular Weight: 198.34
PubChem CID: 98673

In stock

Item Number

T335186

Grouped product items
SKU	Size	Availability	Price	Qty
T335186-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90

Basic Description

Synonyms	Nonyl propyl ketone \| Q63W356HC2 \| BBA21590 \| n-Nonyl n-propyl ketone \| n-Propyl n-nonyl ketone \| 4-Tridecanone, AldrichCPR \| 4-Tridecanone \| AS-56496 \| EINECS 247-519-0 \| SCHEMBL11782997 \| BDBM50358402 \| Tridecan-4-one \| FT-0638585 \| DTXSID80180854 \| NSC
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
External Descriptors	Not available
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

Associated Targets(non-human)

Vibrio cholerae (1211 Activities)

Explore this target

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

IUPAC Name	tridecan-4-one
INCHI	InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3
InChIKey	JWSRUPAFLPWLNO-UHFFFAOYSA-N
Smiles	CCCCCCCCCC(=O)CCC
Isomeric SMILES	CCCCCCCCCC(=O)CCC
PubChem CID	98673
Molecular Weight	198.34

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	18-19° C
Molecular Weight	198.340 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	10
Exact Mass	198.198 Da
Monoisotopic Mass	198.198 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	129.000
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	1

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