3-Amino-L-tyrosine dihydrochloride monohydrate - ≥98% , CAS No.23279-22-3

CAS: 23279-22-3 Cat. No.: A117064 Molecular Weight: 287.14 EC Number: 245-552-5 PubChem CID: 46735196

GRADE & PURITY ≥98%

Synonyms

PD167631 | MFCD00012964 | C9H14Cl2N2O3 | HY-W011686 | L-TYROSINE, 3-AMINO-, 2HCL (9CI) | (2S)-2-AMINO-3-(3-AMINO-4-HYDROXYPHENYL)PROPANOIC ACID DIHYDROCHLORIDE | (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;dihydrochloride | 3-Amino-L-tyrosine d

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

PD167631 | MFCD00012964 | C9H14Cl2N2O3 | HY-W011686 | L-TYROSINE, 3-AMINO-, 2HCL (9CI) | (2S)-2-AMINO-3-(3-AMINO-4-HYDROXYPHENYL)PROPANOIC ACID DIHYDROCHLORIDE | (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;dihydrochloride | 3-Amino-L-tyrosine d

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Unnatural amino acid that induces red shift when incorporated into fluorescent proteins and fluorescent protein-based biosensors. Causes spontaneous and efficient red shift of GFP in HEK293T cells, shifting excitation and emission maxima by 56 and 95 nm r

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1CC(C(=O)O)N)N)O.Cl.Cl
• IUPAC Name: (2S)-2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;dihydrochloride
• InChIKey: PIFWBMTWCTUOOQ-KLXURFKVSA-N
• INCHI: 1S/C9H12N2O3.2ClH/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;;/h1-3,7,12H,4,10-11H2,(H,13,14);2*1H/t7-;;/m0../s1
• Isomeric SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)N)O.Cl.Cl
• WGK Germany: 3
• PubChem CID: 46735196
• Molecular Weight: 287.14

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 Tyrosine and derivatives

• 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: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives Phenylpropanoic acids L-alpha-amino acids Amphetamines and derivatives o-Aminophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - O-aminophenol - Aminophenol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Hydrochloride - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Solubility: Solvent:water, Max Conc. mg/mL: 26.91, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 26.91, Max Conc. mM: 100
• Melt Point(°C): 158-160°C
• Molecular Weight: 269.120 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 268.038 Da
• Monoisotopic Mass: 268.038 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 210.000
• 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: 3

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