tert-butyl 3-oxo-5,6,8,9-tetrahydro-2H-pyridazino[3,4-d]azepine-7-carboxylate - ≥97% , CAS No.1190897-27-8

CAS: 1190897-27-8 Cat. No.: T683271 Peso molecular: 265.31 PubChem CID: 86686513

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

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%

Propiedades del producto

• ALogP: 0.5

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC2=CC(=O)NN=C2CC1
• InChIKey: CCGVAOOSWUXOJY-UHFFFAOYSA-N
• INCHI: 1S/C13H19N3O3/c1-13(2,3)19-12(18)16-6-4-9-8-11(17)15-14-10(9)5-7-16/h8H,4-7H2,1-3H3,(H,15,17)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC2=CC(=O)NN=C2CC1
• PubChem CID: 86686513
• Peso molecular: 265.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azepines
• Alternative Parents: Pyridazinones Heteroaromatic compounds Carbamate esters Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridazinone - Azepine - Pyridazine - Heteroaromatic compound - Carbamic acid ester - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon 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