O-(2,4-Dichlorobenzyl)hydroxylamine hydrochloride - ≥97% , CAS No.51572-93-1

CAS: 51572-93-1 Cat. No.: O193693 Molecular Weight: 228.5

GRADE & PURITY ≥97%

Synonyms

MFCD01114586 | O-(2,4-Dichlorobenzyl)hydroxylaminehydrochloride | AKOS005070592 | O-[(2,4-Dichlorophenyl)methyl]hydroxylamine--hydrogen chloride (1/1) | O-(2,4-DICHLOROBENZYL)HYDROXYLAMINE HCL | SCHEMBL1715890 | J-523783 | 1-[(Aminooxy)methyl]-2,4-dichlor

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD01114586 | O-(2, 4-Dichlorobenzyl)hydroxylaminehydrochloride | AKOS005070592 | O-[(2, 4-Dichlorophenyl)methyl]hydroxylamine--hydrogen chloride (1/1) | O-(2, 4-DICHLOROBENZYL)HYDROXYLAMINE HCL | SCHEMBL1715890 | J-523783 | 1-[(Aminooxy)methyl]-2, 4-dichlor

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761754
• Canonical Smiles: C1=CC(=C(C=C1Cl)Cl)CON.Cl
• IUPAC Name: O-[(2,4-dichlorophenyl)methyl]hydroxylamine;hydrochloride
• InChIKey: HFZNWDNDGDEBBV-UHFFFAOYSA-N
• INCHI: 1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-11-10)7(9)3-6;/h1-3H,4,10H2;1H
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)CON.Cl
• Molecular Weight: 228.5
• Reaxy-Rn: 4578942
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4578942&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Organooxygen compounds Organochlorides Organic nitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

IDO1 Tchem Indoleamine 2,3-dioxygenase 1 (1 Activities)

Discover Target: IDO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 228.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.967 Da
• Monoisotopic Mass: 226.967 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 123.000
• 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: 2

XLogP3