L-(+)-2-(2-Chlorophenyl)glycine - ≥98%(HPLC) , CAS No.141315-50-6

CAS: 141315-50-6 Cat. No.: S161343 Molecular Weight: 185.61 Beilstein Registry Number: 14(4)1345 EC Number: 604-231-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

EN300-306120 | L-(+)-2-Chlorophenylglycine | MFCD03426346 | J-007480 | H-PHG(2-CL)-OH | AM20060506 | (S)-alpha-Amino-(2-chlorophenyl)acetic acid, L-2-Chlorophenylglycine | (S)-(+)-a-Amino-(2-chlorophenyl)acetic acid | L-(+)-2-Chlorophenylglycine, 95% | C2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-306120 | L-(+)-2-Chlorophenylglycine | MFCD03426346 | J-007480 | H-PHG(2-CL)-OH | AM20060506 | (S)-alpha-Amino-(2-chlorophenyl)acetic acid, L-2-Chlorophenylglycine | (S)-(+)-a-Amino-(2-chlorophenyl)acetic acid | L-(+)-2-Chlorophenylglycine, 95% | C2

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488191866
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191866
• Canonical Smiles: C1=CC=C(C(=C1)C(C(=O)O)N)Cl
• IUPAC Name: (2S)-2-amino-2-(2-chlorophenyl)acetic acid
• InChIKey: LMIZLNPFTRQPSF-ZETCQYMHSA-N
• INCHI: 1S/C8H8ClNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1
• Isomeric SMILES: C1=CC=C(C(=C1)[C@@H](C(=O)O)N)Cl
• Molecular Weight: 185.61
• Beilstein: 14(4)1345
• Reaxy-Rn: 2721859
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2721859&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 acids
              • Level8 L-alpha-amino acids

• 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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Chlorobenzenes Aralkylamines Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: L-alpha-amino acid - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-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

Chemical and Physical Properties

• Melt Point(°C): 182-187℃
• Molecular Weight: 185.610 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.024 Da
• Monoisotopic Mass: 185.024 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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: 1