2-Piperidinothiazole - ≥97% , CAS No.4175-70-6

CAS: 4175-70-6 Cat. No.: P728243 Fórmula: C₈H₁₂N₂S Peso molecular: 168.26 PubChem CID: 15110477

GRAU & PUREZA ≥97%

Synonyms

1-(1,3-Thiazol-2-yl)piperidine

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

1-(1,3-Thiazol-2-yl)piperidine

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1CCN(CC1)C2=NC=CS2

IUPAC Name

2-piperidin-1-yl-1,3-thiazole

InChIKey

XSHHZEANTJNOHO-UHFFFAOYSA-N

INCHI

1S/C8H12N2S/c1-2-5-10(6-3-1)8-9-4-7-11-8/h4,7H,1-3,5-6H2

SMILES isoméricas

C1CCN(CC1)C2=NC=CS2

PubChem CID

15110477

Peso molecular

168.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Piperidines 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - 1,3-thiazol-2-amine - Piperidine - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Peso molecular: 168.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 168.072 Da
• Monoisotopic Mass: 168.072 Da
• Topological Polar Surface Area: 44.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 123.000
• 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