7-tert-butoxycarbonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid - ≥97% , CAS No.1160248-16-7

CAS: 1160248-16-7 Cat. No.: T627059 Peso molecular: 267.28 Número EC: 857-427-8 PubChem CID: 71305811

GRADE & PURITY ≥97%

Synonyms

1160248-16-7 | 7-(TERT-BUTOXYCARBONYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRAZINE-1-CARBOXYLIC ACID | 7-(tert-Butoxycarbonyl)- 5,6,7,8-tetrahydroimidazo-[1,5-a]pyrazine-1-carboxylic acid | 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]py

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1160248-16-7 | 7-(TERT-BUTOXYCARBONYL)-5, 6, 7, 8-TETRAHYDROIMIDAZO[1, 5-A]PYRAZINE-1-CARBOXYLIC ACID | 7-(tert-Butoxycarbonyl)- 5, 6, 7, 8-tetrahydroimidazo-[1, 5-a]pyrazine-1-carboxylic acid | 7-[(2-methylpropan-2-yl)oxycarbonyl]-6, 8-dihydro-5H-imidazo[1, 5-a]py

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCN2C=NC(=C2C1)C(=O)O
• IUPAC Name: 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
• InChIKey: ZBPUKXNTBSOWSZ-UHFFFAOYSA-N
• INCHI: 1S/C12H17N3O4/c1-12(2,3)19-11(18)14-4-5-15-7-13-9(10(16)17)8(15)6-14/h7H,4-6H2,1-3H3,(H,16,17)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCN2C=NC(=C2C1)C(=O)O
• CAS alternativo: 1160248-16-7
• PubChem CID: 71305811
• Peso molecular: 267.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carbamate esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazole-4-carbonyl group - N-substituted imidazole - Carbamic acid ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl 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: 267.280 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 267.122 Da
• Monoisotopic Mass: 267.122 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 380.000
• 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