4-Nitro-L-phenylalanine Methyl Ester Hydrochloride - ≥98%(HPLC) , CAS No.17193-40-7

CAS: 17193-40-7 Cat. No.: N136110 Peso molecular: 260.67 Número EC: 605-624-2

GRADE & PURITY ≥98%(HPLC)

Synonyms

(S)-(+)-4-Nitrophenylalanine methyl ester hydrochloride, 97% | J-010782 | p-nitro-L-phenylalanine methyl ester hydrochloride | methyl(2S)-2-amino-3-(4-nitrophenyl)propanoate hydrochloride | AKOS025395655 | Methyl-4-Nitro-L-Phenylalanate Monohydrochloride

Storage

Room temperature

Shipped In

Normal

Descripción general

A useful biochemical for proteomics research

Specifications

Sinónimos

(S)-(+)-4-Nitrophenylalanine methyl ester hydrochloride, 97% | J-010782 | p-nitro-L-phenylalanine methyl ester hydrochloride | methyl(2S)-2-amino-3-(4-nitrophenyl)propanoate hydrochloride | AKOS025395655 | Methyl-4-Nitro-L-Phenylalanate Monohydrochloride

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

a useful biochemical for proteomics research

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488197677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197677
• Sonrisas canónicas: COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl
• IUPAC Name: methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride
• InChIKey: BTHMRXRBXYHLRA-FVGYRXGTSA-N
• INCHI: 1S/C10H12N2O4.ClH/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15;/h2-5,9H,6,11H2,1H3;1H/t9-;/m0./s1
• Isómeros SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl
• WGK Alemania: 3
• Peso molecular: 260.67
• Reaxy-Rn: 3742107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3742107&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: Alpha amino acid esters Amphetamines and derivatives Nitrobenzenes Nitroaromatic compounds Aralkylamines Fatty acid esters Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Hydrochlorides Carbonyl compounds Monoalkylamines Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Hydrochloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - 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

• Rotación específica [α]: 8° (C=1,H2O)
• Punto de fusión (°C): 224°C(lit.)
• Peso molecular: 260.670 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 260.056 Da
• Monoisotopic Mass: 260.056 Da
• Topological Polar Surface Area: 98.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 256.000
• 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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