Clorhidrato de D-treo-1-(4-aminofenil)-2-dicloroacetilamino-1,3-propanodiol - ≥98% , CAS No.57704-36-6

CAS: 57704-36-6 Cat. No.: D337618 Peso molecular: 329.61 PubChem CID: 46780332

GRADE & PURITY ≥98%

Synonyms

N-[(1R,2R)-1-(4-aminofenil)-1,3-dihidroxipropan-2-il]-2,2-dicloroacetamida;clorhidrato | Clorhidrato de D-treo-1-(4-aminofenil)-2-dicloroacetilamino-1,3-propanodiol | DTXSID20675597 | N-[(1R,2R)-1-(4-aminofenil)-1,3-dihidroxipropan-2-il]-2,2-diclo

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

El D-threo-1-(4-Aminophenyl)-2-dichloroacetylamino-1,3-propanediol HCl es un análogo del Cloranfenicol . El D-treo-1-(4-aminofenil)-2-dicloroacetamino-1,3-propanodiol contiene un grupo anilina en lugar del grupo aril nitro del compuesto original.

Specifications

Sinónimos

N-[(1R, 2R)-1-(4-aminofenil)-1, 3-dihidroxipropan-2-il]-2, 2-dicloroacetamida;clorhidrato | Clorhidrato de D-treo-1-(4-aminofenil)-2-dicloroacetilamino-1, 3-propanodiol | DTXSID20675597 | N-[(1R, 2R)-1-(4-aminofenil)-1, 3-dihidroxipropan-2-il]-2, 2-diclo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504770778
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770778
• Sonrisas canónicas: C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)N.Cl
• IUPAC Name: N-[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide;hydrochloride
• InChIKey: AUVANTYWDCEWMP-VTLYIQCISA-N
• INCHI: 1S/C11H14Cl2N2O3.ClH/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6;/h1-4,8-10,16-17H,5,14H2,(H,15,18);1H/t8-,9-;/m1./s1
• Isómeros SMILES: C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N.Cl
• CAS alternativo: 7411-64-5（free base）
• PubChem CID: 46780332
• Peso molecular: 329.61

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: Aniline and substituted anilines
• Alternative Parents: Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Primary amines Primary alcohols Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Alcohol - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Solubilidad: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly)
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 153-156°C (dec.)
• Peso molecular: 329.600 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 328.015 Da
• Monoisotopic Mass: 328.015 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 271.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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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