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

CAS: 1009555-55-8 Cat. No.: D287306 Formule: C₁₁H₁₅Cl₂NO₂•HCl Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥95%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504771068

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771068

Sourires canoniques

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

Isomères SMILES

C1=CC(=C(C(=C1)Cl)Cl)OCCCNCCO.Cl

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: 30.06, Max Conc. mM: 100
• Poids moléculaire: 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