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 CE: 635-762-9

GRAU & 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

Especificações

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

Especificações e pureza

analytical standard

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Analytical standard

Nomes e identificadores

Pubchem Sid

528770033

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

RTECS

DA4726900

Número UN

UN2811

Grupo de embalagem

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
    • 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: 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
• Descrição: 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 ação

Propriedades químicas e 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