Imazapic - analytical standard , CAS No.104098-48-8

CAS: 104098-48-8 Cat. No.: I114647 Molecular Weight: 275.3 EC Number: 600-521-9
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
5-METHYL-2-(4-ISOPROPYL-4-METHYL-5-OXO-2-IMIDAZOLIN-2-YL)NICOTINIC ACID | 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid | F88524 | 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)-5-methylnic
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
I114647-100mg
2

$235.90

$274.90
Save $39.00 (14.19%)
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Why this grade

analytical standard Analytical standard 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.

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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
5-METHYL-2-(4-ISOPROPYL-4-METHYL-5-OXO-2-IMIDAZOLIN-2-YL)NICOTINIC ACID | 5-methyl-2-[4-methyl-5-oxo-4-(propan-2-yl)-4, 5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid | F88524 | 2-(4-isopropyl-4-methyl-5-oxo-4, 5-dihydro-1h-imidazol-2-yl)-5-methylnic
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O
IUPAC Name5-methyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
InChIKeyPVSGXWMWNRGTKE-UHFFFAOYSA-N
INCHI1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18)19)5-8(3)6-15-10/h5-7H,1-4H3,(H,18,19)(H,16,17,20)
Isomeric SMILES CC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O
WGK Germany 3
Molecular Weight 275.3
Reaxy-Rn 8394571
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8394571&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives
Direct ParentAlpha amino acids and derivatives
Alternative Parents Pyridinecarboxylic acids  Imidazolyl carboxylic acids and derivatives  Methylpyridines  Imidazolinones  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Carboximidamides  Carboxamidines  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-amino acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Imidazolyl carboxylic acid derivative - Methylpyridine - Imidazolinone - Pyridine - 2-imidazoline - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Carboxylic acid - Monocarboxylic acid or derivatives - Amidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Digitaria sanguinalis (1594 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Eragrostis cilianensis (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Crotalaria juncea (6 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.

6 results found

Lot NumberCertificate TypeDateItem
A2425147Certificate of AnalysisNov 24, 2023 I114647
A2425148Certificate of AnalysisNov 24, 2023 I114647
A2425149Certificate of AnalysisNov 24, 2023 I114647
A2425150Certificate of AnalysisNov 24, 2023 I114647
H2520161Certificate of AnalysisNov 24, 2023 I114647
G1212047Certificate of AnalysisJan 06, 2023 I114647
Chemical and Physical Properties
Molecular Weight275.300 g/mol
XLogP31.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass275.127 Da
Monoisotopic Mass275.127 Da
Topological Polar Surface Area91.700 Ų
Heavy Atom Count20
Formal Charge0
Complexity461.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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