3-amino-3-(2,4,5-trimethylphenyl)propanoic Acid

Base Information

• Chemical Name: 3-amino-3-(2,4,5-trimethylphenyl)propanoic Acid
• CAS No.: 773122-62-6
• Molecular Formula: C12H17 N O2
• Molecular Weight: 207.27
• DSSTox Substance ID: DTXSID90405803
• Mol file: 773122-62-6.mol

Synonyms:3-amino-3-(2,4,5-trimethylphenyl)propanoic Acid;773122-62-6;3-(2,4,5-trimethylphenyl)-beta-alanine;DTXSID90405803;BBL020419;MFCD04966858;STK893159;AKOS001476209;BB 0249741;CS-0214602;N12411;3-amino-3-(2,4,5-trimethylphenyl)propanoicAcid;EN300-1827413;3-Amino-3-(2,4,5-trimethyl-phenyl)-propionic acid

Chemical Property of 3-amino-3-(2,4,5-trimethylphenyl)propanoic Acid

Chemical Property:

• PSA: 63.32000
• LogP: 2.78660
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

98.5% ^*data from raw suppliers

3-(2,4,5-trimethylphenyl)-β-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)C(CC(=O)O)N)C