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8-Cyclopropylamino-5-nitroquinoline - 95%, high purity , CAS No.1099929-70-0
Discover 8-Cyclopropylamino-5-nitroquinoline by Aladdin Scientific in 95% for only $707.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
N-Cyclopropyl-5-nitroquinolin-8-amine | 1099929-70-0 | A894953 | SB69523 | 8-CYCLOPROPYLAMINO-5-NITROQUINOLINE | ZTB92970 | MFCD11855891 | DTXSID20652747 | BS-23752 | AKOS005831079
Specifications & Purity
≥95%
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
Aminoquinolines and derivatives Nitroaromatic compounds Secondary alkylarylamines Pyridines and derivatives Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroquinoline - Aminoquinoline - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Amine - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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
N-cyclopropyl-5-nitroquinolin-8-amine
INCHI
InChI=1S/C12H11N3O2/c16-15(17)11-6-5-10(14-8-3-4-8)12-9(11)2-1-7-13-12/h1-2,5-8,14H,3-4H2
InChIKey
YVTXHPCFLJEPBL-UHFFFAOYSA-N
Smiles
C1CC1NC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3
Isomeric SMILES
C1CC1NC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3
PubChem CID
31538185
Molecular Weight
229.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
229.230 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
229.085 Da
Monoisotopic Mass
229.085 Da
Topological Polar Surface Area
70.700 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
301.000
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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