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

CAS: 100-75-4 Cat. No.: N768838 Summenformel: C₅H₁₀N₂O Molekulargewicht: 114.15 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

analytical standard, ≥99%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 528766039
• Kanonisches Lächeln: 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
• Isomere SMILES: C1CCN(CC1)N=O
• UN-Nummer: 2811
• Verpackungsgruppe: I
• Molekulargewicht: 114.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 219℃
• Molekulargewicht: 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