3-aminobutirrato di etile - ≥90% , CAS No.5303-65-1

CAS: 5303-65-1 Cat. No.: E170814 Formula: CH₃CH(NH₂)CH₂CO₂C₂H₅ Peso molecolare: 131.17 Numero 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

Conservare a -20°C, con carica di argon

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Specifications

Sinonimi

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

Specifiche e purezza

≥90%

Condizioni di conservazione di stoccaggio

Conservare a -20°C, con carica di argon

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Purezza

≥90%

Nomi e identificatori

Pubchem Sid

504756389

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CCOC(=O)CC(C)N

WGK Germania

3

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.4241
• Punto di infiammabilità (°F): 107.6 °F
• Punto di infiammabilità (°C): 42 °C
• Punto di ebollizione (°C): 60-61 °C/13 mmHg
• Peso molecolare: 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

Domande frequenti

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.