1-piperidinocarboxilato de etilo - ≥97% , CAS No.5325-94-0

CAS: 5325-94-0 Cat. No.: E134679 Fórmula: C₈H₁₅NO₂ Peso molecular: 157.21 Número EC: 625-971-3

GRADE & PURITY ≥97%

Synonyms

Ethyl 1-piperidinecarboxylate | NSC236 | NSC-236 | BRN 0118408 | ethyl piperidinecarboxylate | Ethyl 1-piperidinecarboxylate, 97% | SB41371 | 1-piperidinecarboxylicacid | NSC100911 | NSC-100911 | SCHEMBL10518897 | NSC 100911 | NCIOpen2_001719 | SCHEMBL675

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

El 1-piperidinocarboxilato de etilo es un reactivo de síntesis utilizado en la electosíntesis de equivalentes de iones N-aciliminio, la identificación de intermedios de alcóxidos hemiacetales tetraédricos y la preparación de cetonas simétricas a partir de organolitos.
Un reactivo de síntesis

Specifications

Sinónimos

Ethyl 1-piperidinecarboxylate | NSC236 | NSC-236 | BRN 0118408 | ethyl piperidinecarboxylate | Ethyl 1-piperidinecarboxylate, 97% | SB41371 | 1-piperidinecarboxylicacid | NSC100911 | NSC-100911 | SCHEMBL10518897 | NSC 100911 | NCIOpen2_001719 | SCHEMBL675

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504753033
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753033
• Sonrisas canónicas: CCOC(=O)N1CCCCC1
• IUPAC Name: ethyl piperidine-1-carboxylate
• InChIKey: YSPVHAUJXLGZHP-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO2/c1-2-11-8(10)9-6-4-3-5-7-9/h2-7H2,1H3
• Isómeros SMILES: CCOC(=O)N1CCCCC1
• WGK Alemania: 3
• RTECS: TM6300000
• Peso molecular: 157.21
• Reaxy-Rn: 118408
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118408&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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

• Punto de inflamación (°F): 186.8 °F
• Punto de inflamación (°C): 86 °C
• Peso molecular: 157.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.11 Da
• Monoisotopic Mass: 157.11 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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