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N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide - analytical standard, high purity , CAS No.113-48-4

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N-(2-Ethylhexyl)-5-norbornene-2,3-dicarboximide - analytical standard, high purity , CAS No.113-48-4

COA

Grade & Purity:

analytical standard

Cas Number: 113-48-4
Molecular Weight: 275.39
EC Number: 204-029-1
MDL number: MFCD00072467
PubChem CID: 8227

In stock

Item Number

M114948

Grouped product items
SKU	Size	Availability	Price	Qty
M114948-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$206.90

Basic Description

Synonyms	CHEBI:81966 \| Pyrodone \| Octylbicycloheptenedicarboximide \| Synergist 264 \| AS-3197 \| C18795 \| DTXCID4012562 \| CAS-113-48-4 \| Van Dyk 264 \| N-2-Ethylhexylimid kyseliny bicyklo-(2,2,1)-5-hepten-2,3-dikarboxylove \| Pyrdone (obsolete) \| 2-(2-ethylhexyl)-3a,4
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindolines
Intermediate Tree Nodes	Not available
Direct Parent	Isoindolones
Alternative Parents	Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Isoindolone - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
External Descriptors	Insect repellents
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(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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	4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
INCHI	InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3
InChIKey	WLLGXSLBOPFWQV-UHFFFAOYSA-N
Smiles	CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3
Isomeric SMILES	CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3
WGK Germany	3
UN Number	2810
Packing Group	III
Molecular Weight	275.39
Reaxy-Rn	244148
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=244148&ln=

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

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

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
D1619140	Certificate of Analysis	Jun 10, 2025	M114948

Chemical and Physical Properties

Flash Point(°C)	177°C
Boil Point(°C)	158°C
Molecular Weight	275.400 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	275.189 Da
Monoisotopic Mass	275.189 Da
Topological Polar Surface Area	37.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	412.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
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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