2-Hydroxy-2-(3,5-dichlorophenyl)ethylamine hcl , CAS No.1171436-34-2

CAS: 1171436-34-2 Cat. No.: H994970 Summenformel: C₈H₁₀Cl₃NO Molekulargewicht: 242.5 PubChem CID: 17749878

Storage

Room temperature

Specifications

Storage

Room temperature

Namen und Kennungen

Kanonisches Lächeln

C1=C(C=C(C=C1Cl)Cl)C(CN)O.Cl

IUPAC Name

2-amino-1-(3,5-dichlorophenyl)ethanol;hydrochloride

InChIKey

IIHMBOKXLHLKCM-UHFFFAOYSA-N

INCHI

1S/C8H9Cl2NO.ClH/c9-6-1-5(8(12)4-11)2-7(10)3-6;/h1-3,8,12H,4,11H2;1H

Isomere SMILES

C1=C(C=C(C=C1Cl)Cl)C(CN)O.Cl

PubChem CID

17749878

Molekulargewicht

242.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Aromatic alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Alcohol - Amine - Hydrochloride - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 242.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.983 Da
• Monoisotopic Mass: 240.983 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 135.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

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How should this product be stored?

Store at room temperature.