4-(3-Phenylpropanoylamino)butanoic acid

Base Information

• Chemical Name: 4-(3-Phenylpropanoylamino)butanoic acid
• CAS No.: 90068-72-7
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.27900
• DSSTox Substance ID: DTXSID70535197
• Wikidata: Q82409359
• Mol file: 90068-72-7.mol

Synonyms:4-(3-Phenylpropanoylamino)butanoic acid;90068-72-7;Butanoic acid, 4-[(1-oxo-3-phenylpropyl)amino]-;SCHEMBL9829299;DTXSID70535197;4-(3-Phenylpropanamido)butanoic acid;AKOS000138292;A1-05522

Chemical Property of 4-(3-Phenylpropanoylamino)butanoic acid

Chemical Property:

• PSA: 69.89000
• LogP: 2.44050
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

4-(3-Phenylpropanoylamino)butanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(=O)NCCCC(=O)O