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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Abanoquil , CAS No.90402-40-7
Synonyms
Abanoquil|2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-6,7-dimethoxyquinolin-4-amine|UK 52046|Abanoquil [INN:BAN]|4-Amino-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline|ABANOQUIL [INN]|2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine|2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl) -6,7-dimethoxyquinolin-4-ylamine|2-(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-6,7-DIMETHOXY-QUINOLIN-4-AMINE|2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinolin-4-ylamine|4-Amin-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline
Specifiche Sinonimi
Abanoquil | 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-6,7-dimethoxyquinolin-4-amine | UK 52046 | Abanoquil [INN:BAN] | 4-Amino-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline | ABANOQUIL [INN] | 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine | 2-(6,7-dimethoxy-3,4-dihydro-1H- Mostra altro
Condizioni di conservazione di stoccaggio
Room temperature
Proprietà del prodotto Nomi e identificatori Sorrisi canonici
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
IUPAC Name
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine
InChIKey
ANZIISNSHPKVRV-UHFFFAOYSA-N
INCHI
1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
Isomeri SMILES
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
Dati avanzati Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Classe Benzene and substituted derivatives Subclass Benzylamines Intermediate Tree Nodes Not available Direct Parent 2-benzylaminopyridines Alternative Parents 4-aminoquinolines Tetrahydroisoquinolines Dialkylarylamines Anisoles Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 2-benzylaminopyridine - Aminoquinoline - 4-aminoquinoline - Quinoline - Tetrahydroisoquinoline - Anisole - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group. 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.
Struttura 3D Obiettivi associati (umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 395.500 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 395.185 Da Monoisotopic Mass 395.185 Da Topological Polar Surface Area 79.100 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 538.000 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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