Ethyl 2-Amino-2-Phenylacetate Hydrochloride - ≥98% , CAS No.879-48-1

CAS: 879-48-1 Cat. No.: E187572 Summenformel: C₁₀H₁₄ClNO₂ Molekulargewicht: 215.68

GRADE & PURITY ≥98%

Synonyms

FT-0624335 | SY211257 | AKOS016014430 | Benzeneacetic acid, alpha-amino-, ethyl ester, hydrochloride (1:1) | Glycine, 2-phenyl-, ethyl ester, hydrochloride | CCG-55001 | Ethyl phenylglycinate hydrochloride, (+/-)- | MFCD02259533 | FT-0698655 | ethyl 2-ami

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

FT-0624335 | SY211257 | AKOS016014430 | Benzeneacetic acid, alpha-amino-, ethyl ester, hydrochloride (1:1) | Glycine, 2-phenyl-, ethyl ester, hydrochloride | CCG-55001 | Ethyl phenylglycinate hydrochloride, (+/-)- | MFCD02259533 | FT-0698655 | ethyl 2-ami

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C(C1=CC=CC=C1)N.Cl
• IUPAC Name: ethyl 2-amino-2-phenylacetate;hydrochloride
• InChIKey: FNNXQLSKQSVNLL-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H
• Isomere SMILES: CCOC(=O)C(C1=CC=CC=C1)N.Cl
• Molekulargewicht: 215.68
• Reaxy-Rn: 4211603
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4211603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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: Aralkylamines Benzene and substituted derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive；Moisture sensitive
• Schmelzpunkt (°C): 199 °C
• Molekulargewicht: 215.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.071 Da
• Monoisotopic Mass: 215.071 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 164.000
• 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: 2

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 879-48-1, the molecular formula is C10H14ClNO2, and the molecular weight is 215.68 g/mol. InChIKey FNNXQLSKQSVNLL-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.