7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid - ≥97% , CAS No.1245645-20-8

CAS: 1245645-20-8 Cat. No.: T627697 Peso molecular: 278.31 Número EC: 860-801-3 PubChem CID: 70700429

GRADE & PURITY ≥97%

Synonyms

1245645-20-8 | AKOS016002802 | 7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylicacid | AB70597 | 5,8-Dihydro-6H-[1,7]naphthyridine-3,7-dicarboxylic acid 7-tert-butyl ester | 7-[(tert-butoxy)carbonyl]-5,6,7,8-tetrahydro-1,7-naphthyr

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

1245645-20-8 | AKOS016002802 | 7-(tert-Butoxycarbonyl)-5, 6, 7, 8-tetrahydro-1, 7-naphthyridine-3-carboxylicacid | AB70597 | 5, 8-Dihydro-6H-[1, 7]naphthyridine-3, 7-dicarboxylic acid 7-tert-butyl ester | 7-[(tert-butoxy)carbonyl]-5, 6, 7, 8-tetrahydro-1, 7-naphthyr

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC2=C(C1)N=CC(=C2)C(=O)O
• IUPAC Name: 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid
• InChIKey: BOVSVMCJRLZPAW-UHFFFAOYSA-N
• INCHI: 1S/C14H18N2O4/c1-14(2,3)20-13(19)16-5-4-9-6-10(12(17)18)7-15-11(9)8-16/h6-7H,4-5,8H2,1-3H3,(H,17,18)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)N=CC(=C2)C(=O)O
• CAS alternativo: 1245645-20-8
• PubChem CID: 70700429
• Peso molecular: 278.31

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: Naphthyridine carboxylic acids and derivatives
• Alternative Parents: Pyridinecarboxylic acids Heteroaromatic compounds Carbamate esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carbamic acid ester - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 278.300 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 278.127 Da
• Monoisotopic Mass: 278.127 Da
• Topological Polar Surface Area: 79.700 Ų
• Heavy Atom Count: 20
• 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