Piperidine-1-carbonitrile - ≥98%(GC) , CAS No.1530-87-6

CAS: 1530-87-6 Cat. No.: P160519 Peso molecular: 110.16 Número EC: 216-233-8 PubChem CID: 73736

GRADE & PURITY ≥98%(GC)

Synonyms

GJF9R7G247 | AS-58252 | 1-Piperidinecarbonitrile | SCHEMBL311224 | Pentamethylenecyanamide | cyanopiperidine | cyano-piperidine | MFCD00006477 | NSC26965 | NSC-26965 | FEMA No. 2451 | Piperidine, 1-carbonitrile- | Z1255390563 | DTXSID30165191 | P2343 | AK

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

1-Piperidinecarbonitrile in tetrahydrofuran (THF) reacts with a solution of piperidyl lithium in THF at 0°C to yield lithium[1,1,3,3-bis(pentamethylene)guanidina?te] It participates in thermal decomposition of the 2H-azaphosphirene metal complexes to yield the Δ3-1,3,2-oxazaphospholene complexes and the Δ3-1,3,2-thiazaphospholene complexes

Specifications

Sinónimos

GJF9R7G247 | AS-58252 | 1-Piperidinecarbonitrile | SCHEMBL311224 | Pentamethylenecyanamide | cyanopiperidine | cyano-piperidine | MFCD00006477 | NSC26965 | NSC-26965 | FEMA No. 2451 | Piperidine, 1-carbonitrile- | Z1255390563 | DTXSID30165191 | P2343 | AK

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184794
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184794
• Sonrisas canónicas: C1CCN(CC1)C#N
• IUPAC Name: piperidine-1-carbonitrile
• InChIKey: NVPICXQHSYQKGM-UHFFFAOYSA-N
• INCHI: 1S/C6H10N2/c7-6-8-4-2-1-3-5-8/h1-5H2
• Isómeros SMILES: C1CCN(CC1)C#N
• WGK Alemania: 3
• PubChem CID: 73736
• Peso molecular: 110.16
• Reaxy-Rn: 107696

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.47
• Punto de inflamación (°F): 206.6 °F
• Punto de inflamación (°C): 97°C(lit.)
• Punto de ebullición (°C): 103°C/12mmHg(lit.)
• Peso molecular: 110.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 110.084 Da
• Monoisotopic Mass: 110.084 Da
• Topological Polar Surface Area: 27.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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