Clenproperol - analytical standard , CAS No.38339-11-6

CAS: 38339-11-6 Cat. No.: C135828 Fórmula: C₁₁H₁₆Cl₂N₂O Peso molecular: 263.164 Beilstein Registry Number: 2376535 Número EC: 635-762-9

CALIDAD & PUREZA Analytical standard

Synonyms

AKOS030242033 | 1-(4-Amino-3,5-dichlorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol | Clenproperol | 4-Amino-3,5-dichloro-.alpha.-[(isopropylamino)methyl]benzyl alcohol | FT-0665087 | Clenproperol 100 microg/mL in Acetonitrile | FT-0665088 | BRN 2376535 | NAB

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

AKOS030242033 | 1-(4-Amino-3,5-dichlorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol | Clenproperol | 4-Amino-3,5-dichloro-.alpha.-[(isopropylamino)methyl]benzyl alcohol | FT-0665087 | Clenproperol 100 microg/mL in Acetonitrile | FT-0665088 | BRN 2376535 | NAB

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Nombres e identificadores

Pubchem Sid

528770033

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770033

Sonrisas canónicas

CC(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O

IUPAC Name

1-(4-amino-3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol

InChIKey

JXUDZCJTCKCTQK-UHFFFAOYSA-N

INCHI

1S/C11H16Cl2N2O/c1-6(2)15-5-10(16)7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15-16H,5,14H2,1-2H3

Isómeros SMILES

CC(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O

WGK Alemania

3

RTECS

DA4726900

Número ONU

UN2811

Grupo de embalaje

III

Peso molecular

263.164

Beilstein

2376535

Reaxy-Rn

2376535

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2376535&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aniline or substituted anilines - Aralkylamine - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Aromatic alcohol - Alcohol - Organic oxygen compound - Amine - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 263.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.064 Da
• Monoisotopic Mass: 262.064 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 204.000
• 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: 1