Nα-(2,4-Dinitrophenyl)-L-arginine - ≥97%(HPLC)(T) , CAS No.1602-42-2

CAS: 1602-42-2 Cat. No.: N159223 Peso molecular: 340.3 Número EC: 216-497-4 PubChem CID: 7083742

GRADE & PURITY ≥97%(HPLC)(T)

Synonyms

5-([Amino(imino)methyl]amino)-2-(2,4-dinitroanilino)pentanoic acid # | N+/--(2,4-Dinitrophenyl)-L-arginine | EN300-302802 | Nalpha-(2,4-Dinitrophenyl)-L-arginine | SCHEMBL14693949 | GZJXZYUXRVBOAH-VIFPVBQESA-N | N-(2,4-Dinitrophenyl)-L-arginine | (2S)-5-c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

5-([Amino(imino)methyl]amino)-2-(2, 4-dinitroanilino)pentanoic acid # | N+/--(2, 4-Dinitrophenyl)-L-arginine | EN300-302802 | Nalpha-(2, 4-Dinitrophenyl)-L-arginine | SCHEMBL14693949 | GZJXZYUXRVBOAH-VIFPVBQESA-N | N-(2, 4-Dinitrophenyl)-L-arginine | (2S)-5-c

Especificaciones y pureza

≥97%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 504764707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764707
• Sonrisas canónicas: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCCN=C(N)N)C(=O)O
• IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-(2,4-dinitroanilino)pentanoic acid
• InChIKey: GZJXZYUXRVBOAH-VIFPVBQESA-N
• INCHI: 1S/C12H16N6O6/c13-12(14)15-5-1-2-9(11(19)20)16-8-4-3-7(17(21)22)6-10(8)18(23)24/h3-4,6,9,16H,1-2,5H2,(H,19,20)(H4,13,14,15)/t9-/m0/s1
• Isómeros SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CCCN=C(N)N)C(=O)O
• PubChem CID: 7083742
• Peso molecular: 340.3
• Reaxy-Rn: 2824539

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 Nitroaromatic compounds Secondary alkylarylamines Amino acids Carboxylic acid salts Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitroaniline - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Secondary aliphatic/aromatic amine - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Organic nitro compound - Guanidine - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboximidamide - Amine - Organic salt - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - 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

Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: -34° (C=0.5,AcOH)
• Peso molecular: 340.290 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 340.113 Da
• Monoisotopic Mass: 340.113 Da
• Topological Polar Surface Area: 205.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 497.000
• 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