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

CAS: 1530-87-6 Cat. No.: P160519 Molecular Weight: 110.16 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488184794
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184794
• Canonical Smiles: 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
• Isomeric SMILES: C1CCN(CC1)C#N
• WGK Germany: 3
• PubChem CID: 73736
• Molecular Weight: 110.16
• Reaxy-Rn: 107696

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.47
• Flash Point(°F): 206.6 °F
• Flash Point(°C): 97°C(lit.)
• Boil Point(°C): 103°C/12mmHg(lit.)
• Molecular Weight: 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