1-[(2-Bromo-4,5-dimethoxyphenyl)(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Base Information

• Chemical Name: 1-[(2-Bromo-4,5-dimethoxyphenyl)(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
• CAS No.: 5117-38-4
• Molecular Formula: C22H26BrNO5
• Molecular Weight: 464.3495
• DSSTox Substance ID: DTXSID40411979

Synonyms:5117-38-4;DTXSID40411979;1-[(2-Bromo-4,5-dimethoxyphenyl)(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Chemical Property of 1-[(2-Bromo-4,5-dimethoxyphenyl)(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.53E-13mmHg at 25°C
• Boiling Point: 563.6°C at 760 mmHg
• Flash Point: 294.7°C
• Density: 1.365g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 463.09944
• Heavy Atom Count: 29
• Complexity: 535

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

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