Nε-(2,4-Dinitrophenyl)-L-lysine Hydrochloride - ≥98%(HPLC) , CAS No.14401-10-6

CAS: 14401-10-6 Cat. No.: N159381 Peso molecular: 348.74

GRADE & PURITY ≥98%(HPLC)

Synonyms

N | (2S)-2-amino-6-(2,4-dinitroanilino)hexanoic acid;hydrochloride | Nepsilon-(2,4-Dinitrophenyl)-L-lysine hydrochloride | EPSILON-DINITROPHENYLLYSINE HCL | D1023 | (2S)-2-amino-6-[(2,4-dinitrophenyl)amino]hexanoic acid hydrochloride | N-EPSILON-2,4-DNP-L

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N | (2S)-2-amino-6-(2, 4-dinitroanilino)hexanoic acid;hydrochloride | Nepsilon-(2, 4-Dinitrophenyl)-L-lysine hydrochloride | EPSILON-DINITROPHENYLLYSINE HCL | D1023 | (2S)-2-amino-6-[(2, 4-dinitrophenyl)amino]hexanoic acid hydrochloride | N-EPSILON-2, 4-DNP-L

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCC(C(=O)O)N.Cl
• IUPAC Name: (2S)-2-amino-6-(2,4-dinitroanilino)hexanoic acid;hydrochloride
• InChIKey: VDVXDUOPLKVMMM-FVGYRXGTSA-N
• INCHI: 1S/C12H16N4O6.ClH/c13-9(12(17)18)3-1-2-6-14-10-5-4-8(15(19)20)7-11(10)16(21)22;/h4-5,7,9,14H,1-3,6,13H2,(H,17,18);1H/t9-;/m0./s1
• Isómeros SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCC[C@@H](C(=O)O)N.Cl
• Peso molecular: 348.74
• Reaxy-Rn: 3922864
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3922864&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinitroanilines
• Alternative Parents: L-alpha-amino acids Nitrobenzenes Phenylalkylamines Medium-chain fatty acids Nitroaromatic compounds Secondary alkylarylamines Amino fatty acids Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines Organic zwitterions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitroaniline - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Medium-chain fatty acid - Phenylalkylamine - Amino fatty acid - Secondary aliphatic/aromatic amine - Fatty acyl - Fatty acid - Amino acid - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Hydrochloride - Amine - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
• 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

• Sensibilidad: Heat Sensitive
• Rotación específica [α]: 19° (C=2,MeOH)
• Peso molecular: 348.740 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 348.084 Da
• Monoisotopic Mass: 348.084 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 407.000
• 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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