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tert-Butyl 4-(4-acetylphenyl)-piperazine-1-carboxylate - ≥97%, high purity , CAS No.189763-86-8

COA

Grade & Purity:

≥97%

Cas Number: 189763-86-8
MDL number: MFCD20039715
PubChem CID: 21136190

In stock

Item Number

T769158

Grouped product items
SKU	Size	Availability	Price
T769158-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
T769158-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,046.90
T769158-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,761.90

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 Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Phenylpiperazines N-arylpiperazines Piperazine carboxylic acids Acetophenones Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Carbamate esters Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Acetophenone - Piperazine-1-carboxylic acid - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aryl alkyl ketone - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Carbamic acid ester - Tertiary amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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-(4-acetylphenyl)piperazine-1-carboxylate
INCHI	InChI=1S/C17H24N2O3/c1-13(20)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(21)22-17(2,3)4/h5-8H,9-12H2,1-4H3
InChIKey	RNENNIIGKWIJDK-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C
Isomeric SMILES	CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C
PubChem CID	21136190

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	304.400 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	304.179 Da
Monoisotopic Mass	304.179 Da
Topological Polar Surface Area	49.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	401.000
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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