Ethyl 3-aminobutyrate - ≥90% , CAS No.5303-65-1

CAS: 5303-65-1 Cat. No.: E170814 Peso molecular: 131.17 Número EC: 226-153-5

GRADE & PURITY ≥90%

Synonyms

FT-0770813 | utanoic acid, 3-amino-, ethyl ester | AKOS009157847 | ethyl 3-aminobutanoate | EINECS 226-153-5 | DTXSID401314973 | EN300-103921 | NSC77084 | NSC-77084 | ethyl-3-AMINOBUTYRATE | Ethyl 3-aminobutyrate | NSC 77084 | SCHEMBL2821 | FT-0635605 | E

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

FT-0770813 | utanoic acid, 3-amino-, ethyl ester | AKOS009157847 | ethyl 3-aminobutanoate | EINECS 226-153-5 | DTXSID401314973 | EN300-103921 | NSC77084 | NSC-77084 | ethyl-3-AMINOBUTYRATE | Ethyl 3-aminobutyrate | NSC 77084 | SCHEMBL2821 | FT-0635605 | E

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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

≥90%

Nombres e identificadores

• Pubchem Sid: 504756389
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756389
• Sonrisas canónicas: CCOC(=O)CC(C)N
• IUPAC Name: ethyl 3-aminobutanoate
• InChIKey: HHIOOBJZIASBFF-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2/c1-3-9-6(8)4-5(2)7/h5H,3-4,7H2,1-2H3
• Isómeros SMILES: CCOC(=O)CC(C)N
• WGK Alemania: 3
• Peso molecular: 131.17
• Reaxy-Rn: 1721367
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721367&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 Beta amino acids and derivatives

• 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
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta amino acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

• Índice de refracción: 1.4241
• Punto de inflamación (°F): 107.6 °F
• Punto de inflamación (°C): 42 °C
• Punto de ebullición (°C): 60-61 °C/13 mmHg
• Peso molecular: 131.170 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 131.095 Da
• Monoisotopic Mass: 131.095 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 93.100
• 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