3-Piperidinemethanol - ≥98%(GC) , CAS No.4606-65-9

CAS: 4606-65-9 Cat. No.: P160105 Peso molecular: 115.18 Beilstein Registry Number: 21(3/4)71 Número EC: 225-013-0 PubChem CID: 107308

GRADE & PURITY ≥98%(GC)

Synonyms

J-502110 | 3-Piperidinemethanol | FT-0649811 | InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11 | Q-102742 | AM100839 | KBio2_004024 | racemic 3-piperidinemethanol | 3-Piperidine Methanol | rac-3-hydroxymethylpiperidine | rac-3-hydroxymethyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Application Reactant for synthesis of: CB2 receptor agonists for the treatment of chronic pain Spiroimidazolidinone NPC1L1 inhibitors Quorum sensing modulators Protein lysine methyltransferase G9a inhibitors P2Y12 antagonists for inhibition of platelet aggregation Soluble epoxide hydrolase inhibitors

Specifications

Sinónimos

J-502110 | 3-Piperidinemethanol | FT-0649811 | InChI=1/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4, 9H, 5H2, (H, 10, 11 | Q-102742 | AM100839 | KBio2_004024 | racemic 3-piperidinemethanol | 3-Piperidine Methanol | rac-3-hydroxymethylpiperidine | rac-3-hydroxymethyl

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: 488187402
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187402
• Sonrisas canónicas: C1CC(CNC1)CO
• IUPAC Name: piperidin-3-ylmethanol
• InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2
• Isómeros SMILES: C1CC(CNC1)CO
• WGK Alemania: 2
• PubChem CID: 107308
• Peso molecular: 115.18
• Beilstein: 21(3/4)71
• Reaxy-Rn: 103058

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: 1,3-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - 1,3-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.494
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Punto de ebullición (°C): 236°C
• Punto de fusión (°C): 58-62°C
• Peso molecular: 115.170 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1