4-Imidazoleacrylic acid - ≥98% , CAS No.104-98-3

CAS: 104-98-3 Cat. No.: I165655 Molecular Weight: 138.12 Beilstein Registry Number: 81405

COA

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4-Imidazoleacrylic acid - ≥98% CAS No(104-98-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

2-Propenoic acid, 3-(1H-imidazol-4-yl)-, (E)- | MFCD00005203 | Q60998685 | Urocaninic acid | AMY7015 | CHEBI:27248 | MLS000069482 | CAS-104-98-3 | Imidazole-4-acrylate | SMR000059098 | UNII-G8D26XJJ3B | 1H-ImidaZole-4-acrylic acid (Urocanic acid) | HMS223

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid	488191372
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191372
Canonical Smiles	C1=C(NC=N1)C=CC(=O)O
IUPAC Name	(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChIKey	LOIYMIARKYCTBW-OWOJBTEDSA-N
INCHI	1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
Isomeric SMILES	C1=C(NC=N1)/C=C/C(=O)O
WGK Germany	3
RTECS	NI3425200
Molecular Weight	138.12
Beilstein	81405
Reaxy-Rn	606934
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606934&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Imidazolyl carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Imidazolyl carboxylic acids and derivatives
Alternative Parents	Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Imidazolyl carboxylic acid derivative - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring.
External Descriptors	urocanic acid
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

3D Structure

Associated Targets(Human)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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

SLC6A11 Tchem GABA transporter 3 (176 Activities)

Discover Target: SLC6A11

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

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
C2605016	Certificate of Analysis	Mar 16, 2026	I165655
J2520153	Certificate of Analysis	Oct 22, 2025	I165655
A2415407	Certificate of Analysis	Oct 13, 2025	I165655
A2415408	Certificate of Analysis	Oct 13, 2025	I165655
A2415409	Certificate of Analysis	Oct 13, 2025	I165655
A2415428	Certificate of Analysis	Oct 13, 2025	I165655
A2415429	Certificate of Analysis	Oct 13, 2025	I165655
A2415406	Certificate of Analysis	Jun 17, 2023	I165655
F2305305	Certificate of Analysis	Jun 12, 2023	I165655
F2305308	Certificate of Analysis	Jun 12, 2023	I165655
F2305309	Certificate of Analysis	Jun 12, 2023	I165655
F2305310	Certificate of Analysis	Jun 12, 2023	I165655
F2305313	Certificate of Analysis	Jun 12, 2023	I165655
F2305314	Certificate of Analysis	Jun 12, 2023	I165655
G2114382	Certificate of Analysis	Apr 18, 2023	I165655
G2114250	Certificate of Analysis	Apr 18, 2023	I165655

Sensitivity	Heat sensitive
Melt Point(°C)	226-228°C
Molecular Weight	138.120 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	138.043 Da
Monoisotopic Mass	138.043 Da
Topological Polar Surface Area	66.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	156.000
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

4-Imidazoleacrylic acid - ≥98% , CAS No.104-98-3

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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