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tert-Butyl 4-(tetrahydro-2H-pyran-4-yl)piperazine-1-carboxylate - ≥95%, high purity , CAS No.706759-32-2

COA

Grade & Purity:

≥95%

Cas Number: 706759-32-2
Molecular Weight: 270.37
PubChem CID: 46785855

In stock

Item Number

T692485

Grouped product items
SKU	Size	Availability	Price	Qty
T692485-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,004.90

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 Oxanes Carbamate esters Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - N-alkylpiperazine - Oxane - Carbamic acid ester - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic 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-(oxan-4-yl)piperazine-1-carboxylate
INCHI	InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-8-6-15(7-9-16)12-4-10-18-11-5-12/h12H,4-11H2,1-3H3
InChIKey	DSIMMXOFLAHCGT-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)C2CCOCC2
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2CCOCC2
PubChem CID	46785855
Molecular Weight	270.37

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	270.370 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	270.194 Da
Monoisotopic Mass	270.194 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	300.000
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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