D-threo-1-(4-Aminophenyl)-2-dichloroacetylamino-1,3-propanediol Hydrochloride - ≥98% , CAS No.57704-36-6

CAS: 57704-36-6 Cat. No.: D337618 Molecular Weight: 329.61 PubChem CID: 46780332

GRADE & PURITY ≥98%

Synonyms

N-[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide;hydrochloride | D-threo-1-(4-Aminophenyl)-2-dichloroacetylamino-1,3-propanediol Hydrochloride | DTXSID20675597 | N-[(1R,2R)-1-(4-Aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichlo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

D-threo-1-(4-Aminophenyl)-2-dichloroacetylamino-1,3-propanediol HCl is an analog of Chloramphenicol . D-threo-1-(4-Aminophenyl)-2-dichloroacetylamino-1,3-propanediol contains an aniline group in place of the aryl nitro group of the parent compound.

Specifications

Synonyms

N-[(1R, 2R)-1-(4-aminophenyl)-1, 3-dihydroxypropan-2-yl]-2, 2-dichloroacetamide;hydrochloride | D-threo-1-(4-Aminophenyl)-2-dichloroacetylamino-1, 3-propanediol Hydrochloride | DTXSID20675597 | N-[(1R, 2R)-1-(4-Aminophenyl)-1, 3-dihydroxypropan-2-yl]-2, 2-dichlo

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770778
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770778
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N.Cl
• Alternate CAS: 7411-64-5（free base）
• PubChem CID: 46780332
• Molecular Weight: 329.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly), Water (Slightly)
• Sensitivity: Moisture sensitive
• Melt Point(°C): 153-156°C (dec.)
• Molecular Weight: 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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