Hydroxymethyl Clenbuterol - ≥98% , CAS No.38339-18-3

CAS: 38339-18-3 Cat. No.: H351963 Summenformel: C₁₂H₁₈Cl₂N₂O₂ Molekulargewicht: 293.19 EG-Nummer: 635-690-8

GRADE & PURITY ≥98%

Synonyms

2-{[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino}-2-methylpropan-1-ol | BRN 2854376 | Benzenemethanol, 4-amino-3,5-dichloro-alpha-(((2-hydroxy-1,1-dimethylethyl)amino)methyl)- | Q27271314 | Hydroxymethylclenbuterol, VETRANAL(TM), analytical standar

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

2-{[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino}-2-methylpropan-1-ol | BRN 2854376 | Benzenemethanol, 4-amino-3,5-dichloro-alpha-(((2-hydroxy-1,1-dimethylethyl)amino)methyl)- | Q27271314 | Hydroxymethylclenbuterol, VETRANAL(TM), analytical standar

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol

InChIKey

BWURCANZQUYPLR-UHFFFAOYSA-N

INCHI

1S/C12H18Cl2N2O2/c1-12(2,6-17)16-5-10(18)7-3-8(13)11(15)9(14)4-7/h3-4,10,16-18H,5-6,15H2,1-2H3

Isomere SMILES

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

Molekulargewicht

293.19

Reaxy-Rn

2854376

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2854376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Primary alcohols Organopnictogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - 1,3-dichlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 117-120° C
• Molekulargewicht: 293.190 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 292.075 Da
• Monoisotopic Mass: 292.075 Da
• Topological Polar Surface Area: 78.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 254.000
• 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