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

CAS: 38339-11-6 Cat. No.: C135828 分子式: C₁₁H₁₆Cl₂N₂O 分子量: 263.164 Beilstein Registry Number: 2376535 EC番号: 635-762-9

グレード＆純度 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

仕様

同義語

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

仕様と純度

analytical standard

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

名前と識別子

パブケム・シド

528770033

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

RTECS

DA4726900

UN番号

UN2811

包装グループ

III

分子量

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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