3-Methoxy-D-phenylalanine - ≥97% , CAS No.145306-65-6

CAS: 145306-65-6 Cat. No.: M181544 Fórmula: C₁₀H₁₃NO₃ Peso molecular: 195.2

GRADE & PURITY ≥97%

Synonyms

(R)-2-Amino-3-(3-methoxyphenyl)propanoicacid | H-D-PHE(3-OME)-OH | AKOS015995150 | D-Phenylalanine, 3-methoxy- | AM83393 | AC-24594 | J-512790 | SCHEMBL4596077 | DS-13844 | (2R)-2-amino-3-(3-methoxyphenyl)propanoic acid | 3-Methoxy-D-Phenylalanine | MFCD0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(R)-2-Amino-3-(3-methoxyphenyl)propanoicacid | H-D-PHE(3-OME)-OH | AKOS015995150 | D-Phenylalanine, 3-methoxy- | AM83393 | AC-24594 | J-512790 | SCHEMBL4596077 | DS-13844 | (2R)-2-amino-3-(3-methoxyphenyl)propanoic acid | 3-Methoxy-D-Phenylalanine | MFCD0

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: COC1=CC=CC(=C1)CC(C(=O)O)N
• IUPAC Name: (2R)-2-amino-3-(3-methoxyphenyl)propanoic acid
• InChIKey: XTXGLOBWOMUGQB-SECBINFHSA-N
• INCHI: 1S/C10H13NO3/c1-14-8-4-2-3-7(5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
• SMILES isoméricas: COC1=CC=CC(=C1)C[C@H](C(=O)O)N
• Peso molecular: 195.2
• Reaxy-Rn: 3092959
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3092959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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 D-alpha-amino acids Amphetamines and derivatives Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - D-alpha-amino acid - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 195.210 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 195.09 Da
• Monoisotopic Mass: 195.09 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 145306-65-6, the molecular formula is C10H13NO3, and the molecular weight is 195.2 g/mol. InChIKey XTXGLOBWOMUGQB-SECBINFHSA-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.