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Ethyl 4-(2-Hydroxy-2-propyl)-2-propyl-1H-imidazole-5-carboxylate - >96.0%, high purity , CAS No.144689-93-0

COA

Grade & Purity:

≥96%

Cas Number: 144689-93-0
Molecular Weight: 240.3
PubChem CID: 10562026
PubChem SID: 504765535

In stock

Item Number

E156496

Grouped product items
SKU	Size	Availability	Price
E156496-5g	5g	3	$11.90
E156496-25g	25g	3	$46.90
E156496-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$113.90

Basic Description

Synonyms	144689-93-0 \| Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate \| Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate \| 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylic acid ethyl ester \| ethyl 4-(2-hydroxypropan-2-yl)
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Trisubstituted imidazoles
        Level7 2,4,5-trisubstituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles - Trisubstituted imidazoles
Direct Parent	2,4,5-trisubstituted imidazoles
Alternative Parents	Carbonylimidazoles Vinylogous amides Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,4,5-trisubstituted-imidazole - Imidazole-4-carbonyl group - Tertiary alcohol - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Alcohol - Aromatic alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 2, 4, and 5.
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

Names and Identifiers

Pubchem Sid	504765535
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765535
IUPAC Name	ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
INCHI	InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)
InChIKey	KZBJJAFGNMRRHN-UHFFFAOYSA-N
Smiles	CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCC
Isomeric SMILES	CCCC1=NC(=C(N1)C(C)(C)O)C(=O)OCC
Molecular Weight	240.3
Reaxy-Rn	13835840
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13835840&ln=

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

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2 results found

Lot Number	Certificate Type	Date	Item
C2018105	Certificate of Analysis	Jan 11, 2024	E156496
G2311113	Certificate of Analysis	Jul 24, 2023	E156496

Chemical and Physical Properties

Molecular Weight	240.300 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	240.147 Da
Monoisotopic Mass	240.147 Da
Topological Polar Surface Area	75.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	268.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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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