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3-((tert-Butoxycarbonyl)amino)isonicotinicacid - ≥98%, high purity , CAS No.179024-65-8

COA

Grade & Purity:

≥98%

Cas Number: 179024-65-8
Molecular Weight: 238.25
PubChem CID: 21201523

In stock

Item Number

A729989

Grouped product items
SKU	Size	Availability	Price
A729989-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$87.90
A729989-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
A729989-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90
A729989-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,282.90
A729989-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,565.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Vinylogous amides Heteroaromatic compounds Carbamate esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen 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 pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing 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	3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
INCHI	InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-6-12-5-4-7(8)9(14)15/h4-6H,1-3H3,(H,13,16)(H,14,15)
InChIKey	ZZXUPXUHQHTUNH-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=C(C=CN=C1)C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)NC1=C(C=CN=C1)C(=O)O
PubChem CID	21201523
Molecular Weight	238.25

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	280°(dec)
Molecular Weight	238.240 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	238.095 Da
Monoisotopic Mass	238.095 Da
Topological Polar Surface Area	88.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	298.000
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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