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Tert-Butyl 4-(4-Formylbenzyl)Piperazine-1-Carboxylate - ≥97%, high purity , CAS No.844891-09-4

COA

Grade & Purity:

≥97%

Cas Number: 844891-09-4
Molecular Weight: 304.4
PubChem CID: 2795517

In stock

Item Number

T701273

Grouped product items
SKU	Size	Availability	Price
T701273-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$161.90
T701273-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$298.90
T701273-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$721.90

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	Phenylmethylamines Benzylamines Benzoyl derivatives Benzaldehydes N-alkylpiperazines Aralkylamines Carbamate esters Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Piperazine-1-carboxylic acid - Benzaldehyde - Benzoyl - Benzylamine - Phenylmethylamine - Aryl-aldehyde - N-alkylpiperazine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - 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-[(4-formylphenyl)methyl]piperazine-1-carboxylate
INCHI	InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-14-4-6-15(13-20)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKey	UMXKYTSTYWRBBK-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C=O
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C=O
PubChem CID	2795517
Molecular Weight	304.4

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	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
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	376.000
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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