Ethyl 1-piperazineacetate - ≥95% , CAS No.40004-08-8

CAS: 40004-08-8 Cat. No.: N137591 Peso molecular: 172.22 Número EC: 254-745-3

GRADE & PURITY ≥95%

Synonyms

5-HEPTYL-2-(4-OCTYLOXYPHENYL)PYRIMIDINE | ethyl 2-piperazin-1-ylacetate | AB00809285-02 | N-[(ethoxycarbonyl)methyl]-piperazine | MFCD00040739 | 2-(2-ethylpiperazin-1-yl)acetate;ETHYL 1-PIPERAZINEACETATE | ethyl 2-(piperazin-1-yl) acetate | 1-(Ethoxycarbo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-HEPTYL-2-(4-OCTYLOXYPHENYL)PYRIMIDINE | ethyl 2-piperazin-1-ylacetate | AB00809285-02 | N-[(ethoxycarbonyl)methyl]-piperazine | MFCD00040739 | 2-(2-ethylpiperazin-1-yl)acetate;ETHYL 1-PIPERAZINEACETATE | ethyl 2-(piperazin-1-yl) acetate | 1-(Ethoxycarbo

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504757834
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757834
• Sonrisas canónicas: CCOC(=O)CN1CCNCC1
• IUPAC Name: ethyl 2-piperazin-1-ylacetate
• InChIKey: MTFCXMJOGMHYAE-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3
• Isómeros SMILES: CCOC(=O)CN1CCNCC1
• WGK Alemania: 3
• Peso molecular: 172.22
• Reaxy-Rn: 743260
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743260&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: N-alkylpiperazines Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - N-alkylpiperazine - 1,4-diazinane - Piperazine - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (slightly soluble), chloroform, and methanol.
• Peso molecular: 172.220 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 172.121 Da
• Monoisotopic Mass: 172.121 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 144.000
• 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