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

CAS: 100-75-4 Cat. No.: N768838 Peso molecular: 114.15 Número EC: 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

Especificaciones y pureza

analytical standard, ≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1CCN(CC1)N=O
• Número ONU: 2811
• Grupo de embalaje: I
• Peso molecular: 114.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°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

Referencias

1. Zhiqin Ding, Mengdie Cai, Weimin Gan, Ping Yuan, Lijun Wei, Xianglei Cheng.  (2022)  Studies on a novel method for the determination of nitrosamines in food by HPLC-UV-FLD coupling with terbium-doped carbon dots.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2022.134894]