4-Piperidinemethanol - ≥98% , CAS No.6457-49-4

CAS: 6457-49-4 Cat. No.: P113833 Peso molecular: 115.17 Beilstein Registry Number: 21(5)1,113 Número EC: 613-624-9

GRADE & PURITY ≥98%

Synonyms

4-piperadine methanol | B1638 | PIPERIDINE-4-METHANOL | piperidine-4-yl-methanol | tert.butyloxycarbonyl-Nepsilon -benzyloxycarbonyl-lysine | 4-(hydroxymethyl)piperidin | 4-piperidinyl methanol | AM20100583 | 4-piperidinylmethanol | EN300-36949 | rel-(2S,

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Substrate used in solid-phase organic synthesis of a secondary amine

Specifications

Sinónimos

4-piperadine methanol | B1638 | PIPERIDINE-4-METHANOL | piperidine-4-yl-methanol | tert.butyloxycarbonyl-Nepsilon -benzyloxycarbonyl-lysine | 4-(hydroxymethyl)piperidin | 4-piperidinyl methanol | AM20100583 | 4-piperidinylmethanol | EN300-36949 | rel-(2S,

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1CO
• IUPAC Name: piperidin-4-ylmethanol
• InChIKey: XBXHCBLBYQEYTI-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO/c8-5-6-1-3-7-4-2-6/h6-8H,1-5H2
• Isómeros SMILES: C1CNCCC1CO
• WGK Alemania: 3
• Número ONU: 3263
• Peso molecular: 115.17
• Beilstein: 21(5)1,113
• Reaxy-Rn: 103071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103071&ln=

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: Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - 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: souble in water
• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 135°C/15mmHg
• Punto de fusión (°C): 59°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: 59.500
• 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