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

CAS: 123367-27-1 Cat. No.: E180480 Molecular Weight: 176.2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
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
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
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250mg
E180480-250mg
3

$32.90

$49.90
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1g
E180480-1g
2

$44.90

$67.90
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5g
E180480-5g
2

$134.90

$202.90
Save $68.00 (33.51%)
25g
E180480-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$468.90

$703.90
Save $235.00 (33.39%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid504763819
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504763819
Canonical SmilesCN(C)C=CC(=O)C1=CC=NC=C1
IUPAC Name(E)-3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
InChIKeyJZGHSXBVKSMAKH-VMPITWQZSA-N
INCHI1S/C10H12N2O/c1-12(2)8-5-10(13)9-3-6-11-7-4-9/h3-8H,1-2H3/b8-5+
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentAryl 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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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 NumberCertificate TypeDateItem
D2003066Certificate of AnalysisOct 14, 2025 E180480
B2219134Certificate of AnalysisFeb 23, 2022 E180480
Chemical and Physical Properties
Molecular Weight176.210 g/mol
XLogP30.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass176.095 Da
Monoisotopic Mass176.095 Da
Topological Polar Surface Area33.200 Ų
Heavy Atom Count13
Formal Charge0
Complexity193.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
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