N-Methyl-4-methoxy-L-phenylalanine hydrochloride - ≥98% , CAS No.52939-33-0

CAS: 52939-33-0 Cat. No.: N340736 Peso molecular: 245.70

GRADE & PURITY ≥98%

Synonyms

SCHEMBL2029603 | MFCD00038797 | N,O-Dimethyl-L-Tyrosine | DTXSID00426680 | (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoic acid | N-Methyl-4-methoxy-L-phenylalanine | N-Me-4-methoxy-Phe-OH | Q27463560 | H-MeTyr(Me)-OH | AM82308 | N,O-Dimethyltyrosine |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL2029603 | MFCD00038797 | N, O-Dimethyl-L-Tyrosine | DTXSID00426680 | (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoic acid | N-Methyl-4-methoxy-L-phenylalanine | N-Me-4-methoxy-Phe-OH | Q27463560 | H-MeTyr(Me)-OH | AM82308 | N, O-Dimethyltyrosine |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CNC(CC1=CC=C(C=C1)OC)C(=O)O
• IUPAC Name: (2S)-3-(4-methoxyphenyl)-2-(methylamino)propanoic acid
• InChIKey: QESMMBKGCOSBNL-JTQLQIEISA-N
• INCHI: 1S/C11H15NO3/c1-12-10(11(13)14)7-8-3-5-9(15-2)6-4-8/h3-6,10,12H,7H2,1-2H3,(H,13,14)/t10-/m0/s1
• Isómeros SMILES: CN[C@@H](CC1=CC=C(C=C1)OC)C(=O)O
• CAS alternativo: 168265-06-3
• Peso molecular: 245.70
• Reaxy-Rn: 2373942
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2373942&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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

Propiedades químicas y físicas

• Índice de refracción: n20D~1.53 (Predicted)
• Peso molecular: 209.240 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 209.105 Da
• Monoisotopic Mass: 209.105 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 200.000
• 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