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4-(6-Chloro-pyridazin-3-ylamino)-piperidine-1-carboxylic acid tert-butyl ester - ≥97%, high purity , CAS No.939986-10-4

COA

Grade & Purity:

≥97%

Cas Number: 939986-10-4
Molecular Weight: 312.8
MDL number: MFCD09607520
PubChem CID: 45787246

In stock

Item Number

P768682

Grouped product items
SKU	Size	Availability	Price	Qty
P768682-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$500.90
P768682-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,743.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Secondary alkylarylamines Aminopyridazines Imidolactams Aryl chlorides Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Aminopyridazine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridazine - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Secondary amine - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears 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	tert-butyl 4-[(6-chloropyridazin-3-yl)amino]piperidine-1-carboxylate
INCHI	InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-8-6-10(7-9-19)16-12-5-4-11(15)17-18-12/h4-5,10H,6-9H2,1-3H3,(H,16,18)
InChIKey	UFLIJPWTCOFGSE-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(CC1)NC2=NN=C(C=C2)Cl
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC(CC1)NC2=NN=C(C=C2)Cl
PubChem CID	45787246
Molecular Weight	312.8

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	312.790 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	312.135 Da
Monoisotopic Mass	312.135 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	353.000
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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