1,2,3,4-tetrahydro-1,8-naphthyridin-2-one - ≥97% , CAS No.40000-79-1

CAS: 40000-79-1 Cat. No.: T176392 Peso molecular: 148.16 Número EC: 867-024-9

GRADE & PURITY ≥97%

Synonyms

FT-0684927 | A824843 | dihydro-naphthyridinone | MFCD05664026 | 3,4-dihydro-1,8-naphthyridin-2(1H)-one | KQJVDEBWHJRJBT-UHFFFAOYSA-N | SCHEMBL247150 | SY098656 | DTXSID80579709 | PB12351 | 1,2,3,4-tetrahydro-1,8-naphthyridin-2-one | 3,4-dihydro-1H-1,8-nap

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

FT-0684927 | A824843 | dihydro-naphthyridinone | MFCD05664026 | 3, 4-dihydro-1, 8-naphthyridin-2(1H)-one | KQJVDEBWHJRJBT-UHFFFAOYSA-N | SCHEMBL247150 | SY098656 | DTXSID80579709 | PB12351 | 1, 2, 3, 4-tetrahydro-1, 8-naphthyridin-2-one | 3, 4-dihydro-1H-1, 8-nap

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)NC2=C1C=CC=N2
• IUPAC Name: 3,4-dihydro-1H-1,8-naphthyridin-2-one
• InChIKey: KQJVDEBWHJRJBT-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h1-2,5H,3-4H2,(H,9,10,11)
• Isómeros SMILES: C1CC(=O)NC2=C1C=CC=N2
• Peso molecular: 148.16

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: Pyridines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Pyridine - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - 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: 148.160 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.064 Da
• Monoisotopic Mass: 148.064 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 169.000
• 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