3-Amino-3-(5-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-Amino-3-(5-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
• CAS No.: 773122-63-7
• Molecular Formula: C10H12 Br N O4
• Molecular Weight: 290.11
• DSSTox Substance ID: DTXSID20697310
• Mol file: 773122-63-7.mol

Synonyms:773122-63-7;3-amino-3-(5-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid;DTXSID20697310;3-Pyridinecarboxaldehyde,6-methoxy-;3-AMINO-3-(5-BROMO-3-METHOXY-2-HYDROXY-PHENYL)-PROPIONIC ACID

Chemical Property of 3-Amino-3-(5-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid

Chemical Property:

• Boiling Point: 435.2±45.0 °C(Predicted)
• PKA: 3.69±0.10(Predicted)
• PSA: 92.78000
• Density: 1.644±0.06 g/cm3(Predicted)
• LogP: 2.33810
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 288.99497
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

3-Amino-3-(5-bromo-3-methoxy-2-hydroxy-phenyl)-propionicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)C(CC(=O)O)N)Br