1-(2-Hydroxyethyl)piperidine - ≥99% , CAS No.3040-44-6

CAS: 3040-44-6 Cat. No.: H113280 Fórmula: C₇H₁₅NO Peso molecular: 129.2 Beilstein Registry Number: 103390 Número CE: 221-244-6

GRADE & PURITY ≥99%

Synonyms

2-Piperidinoethanol | N-(2-Hydroxyethyl)piperidine | 2-piperidino-1-ethanol | DTXSID4062808 | EN300-20588 | Piperidine, 1-(2-hydroxyethyl) | 1-(2-Hydroxyethyl)piperidine | MFCD00006512 | N-(.beta.-Hydroxyethyl)piperidine | N-(2-Hydroxyethyl) piperidine |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Piperidinoethanol | N-(2-Hydroxyethyl)piperidine | 2-piperidino-1-ethanol | DTXSID4062808 | EN300-20588 | Piperidine, 1-(2-hydroxyethyl) | 1-(2-Hydroxyethyl)piperidine | MFCD00006512 | N-(.beta.-Hydroxyethyl)piperidine | N-(2-Hydroxyethyl) piperidine |

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 504752873
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752873
• Sorrisos canónicos: C1CCN(CC1)CCO
• IUPAC Name: 2-piperidin-1-ylethanol
• InChIKey: KZTWONRVIPPDKH-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
• SMILES isoméricas: C1CCN(CC1)CCO
• WGK Alemanha: 3
• RTECS: TM8052000
• Peso molecular: 129.2
• Beilstein: 103390
• Reaxy-Rn: 103390
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: 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: piperidines - tertiary amino compound - primary alcohol - ethanolamines

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 ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water; Soluble in Ethanol
• Sensibilidade: Air sensitive
• Índice de refração: 1.48
• Ponto de inflamação (°F): 156.2 °F
• Ponto de inflamação (°C): 69 °C
• Ponto de ebulição (°C): 198°C
• Peso molecular: 129.199 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.115 Da
• Monoisotopic Mass: 129.115 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 69.300
• 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

Referências

1. Zhiqiang Lin, Junfeng Ding, Xuesi Chen, Chaoliang He.  (2023)  pH- and Temperature-responsive Hydrogels Based on Tertiary Amine-modified Polypeptides for Stimuli-responsive Drug Delivery.  Chemistry-An Asian Journal,  18  (8): (e202300021).  [PMID:36856525] [10.1002/asia.202300021]

2. Pengfei Li, Dawei Shang, Wenhui Tu, Shaojuan Zeng, Yi Nie, Lu Bai, Haifeng Dong, Xiangping Zhang.  (2020)  NH3 absorption performance and reversible absorption mechanisms of protic ionic liquids with six-membered N-heterocyclic cations.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2020.117087]

3. Min Xiao, Helei Liu, Raphael Idem, Paitoon Tontiwachwuthikul, Zhiwu Liang.  (2016)  A study of structure–activity relationships of commercial tertiary amines for post-combustion CO2 capture.  APPLIED ENERGY,      [PMID:] [10.1016/j.apenergy.2016.10.006]