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(R)-tert-Butyl 2-benzylpiperazine-1-carboxylate - 97%, high purity , CAS No.947684-78-8

COA

Grade & Purity:

≥97%

Cas Number: 947684-78-8
Molecular Weight: 276.37
PubChem CID: 24820557
PubChem SID: 504769857

In stock

Item Number

R196021

Grouped product items
SKU	Size	Availability	Price
R196021-100mg	100mg	3	$20.90
R196021-250mg	250mg	3	$48.90
R196021-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$115.90
R196021-5g	5g	2	$487.90

Basic Description

Synonyms	947684-78-8 \| (R)-1-BOC-2-BENZYLPIPERAZINE \| (R)-1-Boc-2-benzyl-piperazine \| (R)-tert-butyl 2-benzylpiperazine-1-carboxylate \| tert-butyl (2R)-2-benzylpiperazine-1-carboxylate \| MFCD07772094 \| SCHEMBL4309187 \| DTXSID90647569 \| CS-B0420 \| BBL101428 \| STL555224 \| AKOS005258472 \| A
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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 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	Aralkylamines Benzene and substituted derivatives Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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

Pubchem Sid	504769857
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769857
IUPAC Name	tert-butyl (2R)-2-benzylpiperazine-1-carboxylate
INCHI	InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m1/s1
InChIKey	QKUHUJCLUFLGCI-CQSZACIVSA-N
Smiles	CC(C)(C)OC(=O)N1CCNCC1CC2=CC=CC=C2
Isomeric SMILES	CC(C)(C)OC(=O)N1CCNC[C@H]1CC2=CC=CC=C2
Molecular Weight	276.37
Reaxy-Rn	11246877
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11246877&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
C2513377	Certificate of Analysis	Aug 12, 2022	R196021
K2215556	Certificate of Analysis	Aug 12, 2022	R196021
K2215557	Certificate of Analysis	Aug 12, 2022	R196021
K2215555	Certificate of Analysis	Aug 12, 2022	R196021
K2215552	Certificate of Analysis	Aug 12, 2022	R196021

Chemical and Physical Properties

Molecular Weight	276.370 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	276.184 Da
Monoisotopic Mass	276.184 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	319.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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