7-Benzyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2(1H)-one - ≥95% , CAS No.869640-41-5

CAS: 869640-41-5 Cat. No.: B195440 Peso molecular: 240.3

GRADE & PURITY ≥95%

Synonyms

DS-6482 | 7-benzyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2(1H)-one | 7-benzyl-1,5,6,8-tetrahydro-1,7-naphthyridin-2-one | SCHEMBL3387772 | 7-Benzyl-5,6,7,8-tetrahydro-1,7-naphthyridin-2-ol | A862961 | 1822739-31-0 | DTXSID90722800 | MFCD11521573 | 7-Benzyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-6482 | 7-benzyl-5, 6, 7, 8-tetrahydro-1, 7-naphthyridine-2(1H)-one | 7-benzyl-1, 5, 6, 8-tetrahydro-1, 7-naphthyridin-2-one | SCHEMBL3387772 | 7-Benzyl-5, 6, 7, 8-tetrahydro-1, 7-naphthyridin-2-ol | A862961 | 1822739-31-0 | DTXSID90722800 | MFCD11521573 | 7-Benzyl

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CC2=C1C=CC(=O)N2)CC3=CC=CC=C3
• IUPAC Name: 7-benzyl-1,5,6,8-tetrahydro-1,7-naphthyridin-2-one
• InChIKey: IAXZYZLBSPZMGH-UHFFFAOYSA-N
• INCHI: 1S/C15H16N2O/c18-15-7-6-13-8-9-17(11-14(13)16-15)10-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,16,18)
• Isómeros SMILES: C1CN(CC2=C1C=CC(=O)N2)CC3=CC=CC=C3
• Peso molecular: 240.3
• Reaxy-Rn: 14471674
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14471674&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Phenylmethylamines Benzylamines Pyridinones Aralkylamines Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Benzylamine - Phenylmethylamine - Pyridinone - Aralkylamine - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 240.300 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.126 Da
• Monoisotopic Mass: 240.126 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 391.000
• 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