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Tert-Butyl 4-((6-Aminopyridin-3-Yl)Methyl)Piperazine-1-Carboxylate - ≥98%, high purity , CAS No.1178566-52-3

COA

Grade & Purity:

≥98%

Cas Number: 1178566-52-3
PubChem CID: 67241947

In stock

Item Number

T770943

Grouped product items
SKU	Size	Availability	Price	Qty
T770943-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$337.90
T770943-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$562.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines
      - Level5 Piperazine carboxylic acids and derivatives
        Level6 Piperazine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Piperazine carboxylic acids and derivatives
Direct Parent	Piperazine carboxylic acids
Alternative Parents	N-alkylpiperazines Aralkylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Aminopyridine - Aralkylamine - N-alkylpiperazine - Pyridine - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
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	tert-butyl 4-[(6-aminopyridin-3-yl)methyl]piperazine-1-carboxylate
INCHI	InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)11-12-4-5-13(16)17-10-12/h4-5,10H,6-9,11H2,1-3H3,(H2,16,17)
InChIKey	UOIMSYSBTIGWJJ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(C=C2)N
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(C=C2)N
PubChem CID	67241947

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	292.380 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	292.19 Da
Monoisotopic Mass	292.19 Da
Topological Polar Surface Area	71.700 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	348.000
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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