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1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline - 97%, high purity , CAS No.57883-28-0
Basic Description
Synonyms
1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline | 57883-28-0 | N-ETHYL-7-NITRO-1,2,3,4-TETRAHYDROQUINOLINE | 1-ethyl-7-nitro-3,4-dihydro-2H-quinoline | MFCD07368631 | 1-Ethyl-7-nitro-1,2,3,4-tetrahydro- | 1-Ethyl-7-nitro-1,2,3,4-tetrahydro-quinoline | 7-Nitro-N-ethyl-1,2,3
Specifications & Purity
≥97%
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
Hydroquinolines Nitroaromatic compounds Dialkylarylamines Aralkylamines Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroquinoline - Tetrahydroquinoline - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aralkylamine - Benzenoid - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic salt - Organic nitrogen compound - Organic oxygen 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
1-ethyl-7-nitro-3,4-dihydro-2H-quinoline
INCHI
InChI=1S/C11H14N2O2/c1-2-12-7-3-4-9-5-6-10(13(14)15)8-11(9)12/h5-6,8H,2-4,7H2,1H3
InChIKey
TUCATNRJGJWEKT-UHFFFAOYSA-N
Smiles
CCN1CCCC2=C1C=C(C=C2)[N+](=O)[O-]
Isomeric SMILES
CCN1CCCC2=C1C=C(C=C2)[N+](=O)[O-]
Molecular Weight
206.24
Reaxy-Rn
1684341
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1684341&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
206.240 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
206.106 Da
Monoisotopic Mass
206.106 Da
Topological Polar Surface Area
49.100 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
239.000
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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