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1-Boc-4-(3-Nitrobenzyl)piperazine - ≥97%, high purity , CAS No.203047-33-0

COA

Grade & Purity:

≥97%

Cas Number: 203047-33-0
Molecular Weight: 321.37
PubChem CID: 2795524

In stock

Item Number

B701275

Grouped product items
SKU	Size	Availability	Price	Qty
B701275-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$229.90
B701275-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$603.90

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	Nitrobenzenes Phenylmethylamines Nitroaromatic compounds Benzylamines Aralkylamines N-alkylpiperazines Carbamate esters Trialkylamines Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitrobenzene - Piperazine-1-carboxylic acid - Nitroaromatic compound - Benzylamine - Phenylmethylamine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - C-nitro compound - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Carbonyl group - 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-[(3-nitrophenyl)methyl]piperazine-1-carboxylate
INCHI	InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-9-7-17(8-10-18)12-13-5-4-6-14(11-13)19(21)22/h4-6,11H,7-10,12H2,1-3H3
InChIKey	HWTWAJBOXCYPAM-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]
PubChem CID	2795524
Molecular Weight	321.37

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	321.370 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	321.169 Da
Monoisotopic Mass	321.169 Da
Topological Polar Surface Area	78.600 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	422.000
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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