N-(2,4-Dinitrophenyl)-6-aminohexanoic Acid - ≥95% , CAS No.10466-72-5

CAS: 10466-72-5 Cat. No.: N159295 Peso molecular: 297.27

GRADE & PURITY ≥95%

Synonyms

DINITROPHENYL-.EPSILON.-AMINOCAPROIC ACID | 6-(2,4-dinitrophenyl) amino hexanoic acid | 6-N-(2,4-Dinitrophenyl)aminohexanoic acid | N-(2,4-dinitrophenyl)aminohexanoic acid | N-(2,4-DINITROPHENYL)-6-AMINOHEXANOICACID | MS-20991 | UNII-C9DMK9DA99 | tetraflu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DINITROPHENYL-.EPSILON.-AMINOCAPROIC ACID | 6-(2, 4-dinitrophenyl) amino hexanoic acid | 6-N-(2, 4-Dinitrophenyl)aminohexanoic acid | N-(2, 4-dinitrophenyl)aminohexanoic acid | N-(2, 4-DINITROPHENYL)-6-AMINOHEXANOICACID | MS-20991 | UNII-C9DMK9DA99 | tetraflu

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 488187021
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187021
• Sonrisas canónicas: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCCC(=O)O
• IUPAC Name: 6-(2,4-dinitroanilino)hexanoic acid
• InChIKey: ZYUWUKIAUDIXCQ-UHFFFAOYSA-N
• INCHI: 1S/C12H15N3O6/c16-12(17)4-2-1-3-7-13-10-6-5-9(14(18)19)8-11(10)15(20)21/h5-6,8,13H,1-4,7H2,(H,16,17)
• Isómeros SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCCC(=O)O
• Peso molecular: 297.27
• Reaxy-Rn: 2821079
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2821079&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: Nitrobenzenes Nitro fatty acids Phenylalkylamines Nitroaromatic compounds Medium-chain fatty acids Secondary alkylarylamines Amino fatty acids Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitroaniline - Nitro fatty acid - Nitrobenzene - Nitroaromatic compound - Medium-chain fatty acid - Phenylalkylamine - Amino fatty acid - Secondary aliphatic/aromatic amine - Fatty acid - Fatty acyl - Amino acid or derivatives - C-nitro compound - Amino acid - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - 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: C-nitro compound

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
• Punto de fusión (°C): 133 °C
• Peso molecular: 297.260 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• 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: 378.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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