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1-tert-Butyl 3-methyl 4-amino-1H-pyrazole-1,3-dicarboxylate - 98%, high purity , CAS No.923283-63-0

COA

Grade & Purity:

≥98%

Cas Number: 923283-63-0
Molecular Weight: 241.24
PubChem CID: 68365030

In stock

Item Number

T195862

Grouped product items
SKU	Size	Availability	Price	Qty
T195862-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
T195862-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90

Basic Description

Synonyms	1-tert-Butyl 3-methyl 4-amino-1H-pyrazole-1,3-dicarboxylate \| 923283-63-0 \| 1-O-tert-butyl 3-O-methyl 4-aminopyrazole-1,3-dicarboxylate \| SCHEMBL12725151 \| 1-tert-Butyl3-methyl4-amino-1H-pyrazole-1,3-dicarboxylate \| DTXSID90738249 \| YLB28363 \| MFCD19703290 \| AKOS01601496
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazole carboxylic acids and derivatives
Alternative Parents	Vinylogous amides Methyl esters Heteroaromatic compounds Organic carbonic acids and derivatives Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-1-carboxylic acid or derivatives - Methyl ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carbonic acid derivative - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
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	1-O-tert-butyl 3-O-methyl 4-aminopyrazole-1,3-dicarboxylate
INCHI	InChI=1S/C10H15N3O4/c1-10(2,3)17-9(15)13-5-6(11)7(12-13)8(14)16-4/h5H,11H2,1-4H3
InChIKey	NREJJSGJYLCPKQ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C=C(C(=N1)C(=O)OC)N
Isomeric SMILES	CC(C)(C)OC(=O)N1C=C(C(=N1)C(=O)OC)N
PubChem CID	68365030
Molecular Weight	241.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.240 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	241.106 Da
Monoisotopic Mass	241.106 Da
Topological Polar Surface Area	96.400 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	313.000
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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