The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate - 98%, high purity
Basic Description
Synonyms
TERT-BUTYL 4-(5-NITROQUINOLIN-6-YL)PIPERAZINE-1-CARBOXYLATE | 1133115-87-3 | DTXSID40672604 | MFCD11855903 | AKOS015833495 | BS-25113 | CS-0211016 | AB01006375-01 | Z643596512 | TERT-BUTYL4-(5-NITROQUINOLIN-6-YL)PIPERAZINE-1-CARBOXYLATE
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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
Data sources
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.
Names and Identifiers
IUPAC Name
tert-butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate
INCHI
InChI=1S/C18H22N4O4/c1-18(2,3)26-17(23)21-11-9-20(10-12-21)15-7-6-14-13(5-4-8-19-14)16(15)22(24)25/h4-8H,9-12H2,1-3H3
InChIKey
DOLJWBADJZUQHH-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-]
Certificates（CoA,COO,BSE/TSE and Analysis 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 Ų
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
