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(E)-3-(Dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one - 98%, high purity , CAS No.123367-27-1

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(E)-3-(Dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one - 98%, high purity , CAS No.123367-27-1

COA

Grade & Purity:

≥98%

Cas Number: 123367-27-1
Molecular Weight: 176.2
PubChem CID: 5396716
PubChem SID: 504763819

In stock

Item Number

E180480

Grouped product items
SKU	Size	Availability	Price
E180480-250mg	250mg	3	$100.90
E180480-1g	1g	2	$241.90
E180480-5g	5g	2	$790.90
E180480-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,404.90

Basic Description

Synonyms	(E)-3-(dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one \| 66521-53-7 \| 123367-27-1 \| 3-(dimethylamino)-1-(pyridin-4-yl)prop-2-en-1-one \| (E)-3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one \| (2E)-3-(DIMETHYLAMINO)-1-PYRIDIN-4-YLPROP-2-EN-1-ONE \| (E)-3-Dimethylamino-1-p
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Aryl ketones
Alternative Parents	Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Enones Acryloyl compounds Trialkylamines Enamines Azacyclic compounds Allylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl ketone - Pyridine - Acryloyl-group - Enone - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Tertiary aliphatic amine - Tertiary amine - Enamine - Allylamine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
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(Human)

HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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	504763819
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763819
IUPAC Name	(E)-3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
INCHI	InChI=1S/C10H12N2O/c1-12(2)8-5-10(13)9-3-6-11-7-4-9/h3-8H,1-2H3/b8-5+
InChIKey	JZGHSXBVKSMAKH-VMPITWQZSA-N
Smiles	CN(C)C=CC(=O)C1=CC=NC=C1
Isomeric SMILES	CN(C)/C=C/C(=O)C1=CC=NC=C1
Molecular Weight	176.2
Reaxy-Rn	472075
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472075&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
D2003066	Certificate of Analysis	Jan 06, 2023	E180480
B2219134	Certificate of Analysis	Feb 23, 2022	E180480

Chemical and Physical Properties

Molecular Weight	176.210 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	176.095 Da
Monoisotopic Mass	176.095 Da
Topological Polar Surface Area	33.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	193.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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