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Ethyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-imidazole-2-carboxylate - ≥98%, high purity , CAS No.128293-63-0

COA

Grade & Purity:

≥98%

Cas Number: 128293-63-0
Molecular Weight: 269.3
PubChem CID: 14488320

In stock

Item Number

E727957

Grouped product items
SKU	Size	Availability	Price	Qty
E727957-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$80.90
E727957-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,049.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Trisubstituted imidazoles
        Level7 1,2,4-trisubstituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles - Trisubstituted imidazoles
Direct Parent	1,2,4-trisubstituted imidazoles
Alternative Parents	N-substituted imidazoles Imidolactams Heteroaromatic compounds Carbamate esters Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,4-trisubstituted-imidazole - N-substituted imidazole - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2,4-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3.
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

IUPAC Name	ethyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-2-carboxylate
INCHI	InChI=1S/C12H19N3O4/c1-6-18-10(16)9-13-8(7-15(9)5)14-11(17)19-12(2,3)4/h7H,6H2,1-5H3,(H,14,17)
InChIKey	VKDFVUFMCCONBE-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=NC(=CN1C)NC(=O)OC(C)(C)C
Isomeric SMILES	CCOC(=O)C1=NC(=CN1C)NC(=O)OC(C)(C)C
PubChem CID	14488320
Molecular Weight	269.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	269.300 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	269.138 Da
Monoisotopic Mass	269.138 Da
Topological Polar Surface Area	82.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	340.000
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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