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 Molecular Weight: 265.31 PubChem CID: 86686513

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Product Properties

• ALogP: 0.5

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC2=CC(=O)NN=C2CC1
• PubChem CID: 86686513
• Molecular Weight: 265.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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