ethyl (2R,4R)-8,9-diazatricyclo[4.3.0.0²⁴]nona-1(6),7-diene-7-carboxylate - ≥97% , CAS No.1268882-46-7

CAS: 1268882-46-7 Cat. No.: E683141 Molecular Weight: 192.21 PubChem CID: 58906803

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: 1.3

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=NNC2=C1C[C@@H]3[C@H]2C3
• InChIKey: IETHOCPPFVXWDU-PHDIDXHHSA-N
• INCHI: 1S/C10H12N2O2/c1-2-14-10(13)9-7-4-5-3-6(5)8(7)11-12-9/h5-6H,2-4H2,1H3,(H,11,12)/t5-,6-/m1/s1
• Isomeric SMILES: CCOC(=O)C1=NNC2=C1C[C@@H]3[C@H]2C3
• PubChem CID: 58906803
• Molecular Weight: 192.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by 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