6-[2-(Tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-1-ium-3-ol;chloride

Base Information

• Chemical Name: 6-[2-(Tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-1-ium-3-ol;chloride
• CAS No.: 38029-10-6
• Molecular Formula: C12H20N2O3•2ClH
• Molecular Weight: 313.26
• Mol file: 38029-10-6.mol

Synonyms:NSC355078

Chemical Property of 6-[2-(Tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-1-ium-3-ol;chloride

Chemical Property:

• Melting Point: 182° (dec)
• Boiling Point: 489.3oC at 760 mmHg
• Flash Point: 249.7oC
• PSA: 85.61000
• LogP: 1.89390
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 276.1240702
• Heavy Atom Count: 18
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

PirbuterolDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(C1=[NH+]C(=C(C=C1)O)CO)O.[Cl-]
• Uses: An analogue of Albuterol (A514500) with β2-adrenergic stimulating activity. Bronchodilator.