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

CAS: 5303-65-1 Cat. No.: E170814 Fórmula: CH₃CH(NH₂)CH₂CO₂C₂H₅ Peso molecular: 131.17 Número CE: 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

Especificações e pureza

≥90%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥90%

Nomes e identificadores

Pubchem Sid

504756389

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756389

Sorrisos canónicos

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

SMILES isoméricas

CCOC(=O)CC(C)N

WGK Alemanha

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
    • Classe 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
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.4241
• Ponto de inflamação (°F): 107.6 °F
• Ponto de inflamação (°C): 42 °C
• Ponto de ebulição (°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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5303-65-1, the molecular formula is C6H13NO2, and the molecular weight is 131.17 g/mol. InChIKey HHIOOBJZIASBFF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.