D-phenylglycine ethyl ester·HCl - ≥99% , CAS No.17609-48-2

CAS: 17609-48-2 Cat. No.: P100532 Molecular Weight: 215.68 EC Number: 241-581-2

GRADE & PURITY ≥99%

Synonyms

D-(-)-Alpha-phenylglycine ethyl ester, HCl | Phenylglycine ethyl ester hydrochloride, D- | (R)-Ethyl2-amino-2-phenylacetatehydrochloride | (R)-2-PhenyLglycine ethyl ester hydrochloride | D-(-)- | HMS3673I09 | 722FD29G3X | ethyl (2R)-2-amino-2-phenylacetat

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

D-(-)-Alpha-phenylglycine ethyl ester, HCl | Phenylglycine ethyl ester hydrochloride, D- | (R)-Ethyl2-amino-2-phenylacetatehydrochloride | (R)-2-PhenyLglycine ethyl ester hydrochloride | D-(-)- | HMS3673I09 | 722FD29G3X | ethyl (2R)-2-amino-2-phenylacetat

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488199833
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199833
• Canonical Smiles: CCOC(=O)C(C1=CC=CC=C1)N.Cl
• IUPAC Name: ethyl (2R)-2-amino-2-phenylacetate;hydrochloride
• InChIKey: FNNXQLSKQSVNLL-SBSPUUFOSA-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/t9-;/m1./s1
• Isomeric SMILES: CCOC(=O)[C@@H](C1=CC=CC=C1)N.Cl
• Molecular Weight: 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
    • Class 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
• Class: 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 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 - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 185-187°C
• Molecular Weight: 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: 1
• 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: 2

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