N-(2,4-Dinitrophenyl)-L-leucine - ≥99%(T) , CAS No.1655-57-8

CAS: 1655-57-8 Cat. No.: N159165 Peso molecular: 297.27 Número EC: 679-689-0

GRADE & PURITY ≥99%(T)

Synonyms

5CZ2S3URB9 | (2S)-2-[(2,4-dinitrophenyl)amino]-4-methylpentanoic acid | NSC-89626 | (2,4-Dinitrophenyl)-L-leucine | SCHEMBL6129750 | L-Leucine, N-(2,4-dinitrophenyl)- | BS-43909 | EN300-302804 | Dnp-Leu-OH | N-2,4-Dnp-L-leucine | T70388 | HY-W142020 | (2S

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5CZ2S3URB9 | (2S)-2-[(2, 4-dinitrophenyl)amino]-4-methylpentanoic acid | NSC-89626 | (2, 4-Dinitrophenyl)-L-leucine | SCHEMBL6129750 | L-Leucine, N-(2, 4-dinitrophenyl)- | BS-43909 | EN300-302804 | Dnp-Leu-OH | N-2, 4-Dnp-L-leucine | T70388 | HY-W142020 | (2S

Especificaciones y pureza

≥99%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(T)

Nombres e identificadores

• Sonrisas canónicas: CC(C)CC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: (2S)-2-(2,4-dinitroanilino)-4-methylpentanoic acid
• InChIKey: STMDPCBYJCIZOD-JTQLQIEISA-N
• INCHI: 1S/C12H15N3O6/c1-7(2)5-10(12(16)17)13-9-4-3-8(14(18)19)6-11(9)15(20)21/h3-4,6-7,10,13H,5H2,1-2H3,(H,16,17)/t10-/m0/s1
• Isómeros SMILES: CC(C)C[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• Peso molecular: 297.27
• Reaxy-Rn: 2821077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2821077&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 Leucine 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: Leucine and derivatives
• Alternative Parents: Dinitroanilines L-alpha-amino acids Nitrobenzenes Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organic salts Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Leucine or derivatives - Dinitroaniline - Alpha-amino acid - L-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Amino acid - C-nitro compound - Organic nitro compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine 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]: 56° (C=0.5,NaHCO3 aq.(4%))
• Punto de fusión (°C): 98 °C
• Peso molecular: 297.260 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 297.096 Da
• Monoisotopic Mass: 297.096 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 403.000
• 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