1-Nitrosopiperidine - analytical standard, ≥99% , CAS No.100-75-4

CAS: 100-75-4 Cat. No.: N768838 Fórmula: C₅H₁₀N₂O Peso molecular: 114.15 Número CE: 202-886-6

GRADE & PURITY Analytical standard, ≥99%

Synonyms

N-nitrosopiperidine | NPI | NPIP | NSC 138 | Piperidine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-nitrosopiperidine | NPI | NPIP | NSC 138 | Piperidine

Especificações e pureza

analytical standard, ≥99%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Grau

Analytical standard

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

528766039

Sorrisos canónicos

C1CCN(CC1)N=O

IUPAC Name

1-nitrosopiperidine

InChIKey

UWSDONTXWQOZFN-UHFFFAOYSA-N

INCHI

1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2

SMILES isoméricas

C1CCN(CC1)N=O

Número UN

2811

Grupo de embalagem

I

Peso molecular

114.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Nitrosopiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Nitrosopiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrosopiperidines
• Alternative Parents: Organic N-nitroso compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1-nitrosopiperidine - Organic n-nitroso compound - Organic nitroso compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrosopiperidines. These are piperidines with a nitroso functional group attached to the piperidine ring.
• External Descriptors: nitrosamine - piperidine

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

• Ponto de ebulição (°C): 219℃
• Peso molecular: 114.150 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 114.079 Da
• Monoisotopic Mass: 114.079 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.500
• 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