3-O-Methyldobutamine

Base Information

• Chemical Name: 3-O-Methyldobutamine
• CAS No.: 95231-13-3
• Molecular Formula: C19H25 N O3
• Molecular Weight: 315.41
• UNII: WPA8UX9238
• DSSTox Substance ID: DTXSID50915054
• Nikkaji Number: J1.634.701I
• Metabolomics Workbench ID: 71616
• Mol file: 95231-13-3.mol

Synonyms:3-O-methyldobutamine

Chemical Property of 3-O-Methyldobutamine

Chemical Property:

• Vapor Pressure: 6.61E-11mmHg at 25°C
• Boiling Point: 507.1°Cat760mmHg
• PKA: 9.90±0.20(Predicted)
• Flash Point: 260.5°C
• PSA: 61.72000
• Density: 1.13g/cm³
• LogP: 3.65070
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 315.18344366
• Heavy Atom Count: 23
• Complexity: 318

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)OC
• Uses: 3-O-Methyldobutamine is a metabolite of dobutamine. A potent α1-?adrenoceptor antagonist.

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