2,3-DCPE hydrochloride - ≥95% , CAS No.1009555-55-8

CAS: 1009555-55-8 Cat. No.: D287306 Molecular Weight: 300.61

GRADE & PURITY ≥95%

Synonyms

2-[[3-(2,3-Dichlorophenoxy)propyl]amino]ethanol hydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-[[3-(2, 3-Dichlorophenoxy)propyl]amino]ethanol hydrochloride

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Selectively induces apoptosis and downregulates Bcl-XL protein expression in various human cancer cells versus normal cellsin vitro. IC50values are 0.89 and 12.6μM for LoVo human colon cancer cell line and normal human fibroblasts respectively. Induces p2

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504771068
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771068
• Canonical Smiles: C1=CC(=C(C(=C1)Cl)Cl)OCCCNCCO.Cl
• IUPAC Name: 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol;hydrochloride
• InChIKey: GFCJFYSIPRIHKT-UHFFFAOYSA-N
• INCHI: 1S/C11H15Cl2NO2.ClH/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15;/h1,3-4,14-15H,2,5-8H2;1H
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)Cl)OCCCNCCO.Cl
• Molecular Weight: 300.61
• Reaxy-Rn: 18493009
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18493009&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: Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 1,2-dichlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Alkanolamine - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrochloride - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - 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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 30.06, Max Conc. mM: 100
• Molecular Weight: 300.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 299.025 Da
• Monoisotopic Mass: 299.025 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 183.000
• 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