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1-BOC-4-(5-nitroquinolin-8-yl)piperazine - 97%, high purity , CAS No.1133115-74-8

COA

Grade & Purity:

≥97%

Cas Number: 1133115-74-8
Molecular Weight: 358.4
PubChem CID: 31540439

In stock

Item Number

B179512

Grouped product items
SKU	Size	Availability	Price
B179512-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
B179512-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90
B179512-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$530.90

Discover 1-BOC-4-(5-nitroquinolin-8-yl)piperazine by Aladdin Scientific in 97% for only $58.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1133115-74-8 \| 1-BOC-4-(5-nitroquinolin-8-yl)piperazine \| tert-Butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate \| DTXSID80652748 \| tert-Butyl4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate \| MFCD11855892 \| AKOS015836979 \| BS-26149 \| CS-0211122 \| A894422
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Nitroquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Nitroquinolines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitroquinolines and derivatives
Alternative Parents	N-arylpiperazines Aminoquinolines and derivatives Piperazine carboxylic acids Dialkylarylamines Nitroaromatic compounds Pyridines and derivatives Benzenoids Carbamate esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Nitroquinoline - N-arylpiperazine - Aminoquinoline - Piperazine-1-carboxylic acid - Nitroaromatic compound - Dialkylarylamine - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Organic nitro compound - C-nitro compound - Tertiary amine - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic salt - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
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-(5-nitroquinolin-8-yl)piperazine-1-carboxylate
INCHI	InChI=1S/C18H22N4O4/c1-18(2,3)26-17(23)21-11-9-20(10-12-21)15-7-6-14(22(24)25)13-5-4-8-19-16(13)15/h4-8H,9-12H2,1-3H3
InChIKey	CGGFQFNDYKSSJB-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3
Molecular Weight	358.4
Reaxy-Rn	37384942
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37384942&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	358.400 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	358.164 Da
Monoisotopic Mass	358.164 Da
Topological Polar Surface Area	91.500 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	522.000
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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