N-(3-Phenylpropionyl)glycine methylthio ester

Base Information

• Chemical Name: N-(3-Phenylpropionyl)glycine methylthio ester
• CAS No.: 81811-83-8
• Molecular Formula: C12H15NO2S
• Molecular Weight: 237.318
• DSSTox Substance ID: DTXSID20231399
• Wikidata: Q83112333
• Mol file: 81811-83-8.mol

Synonyms:N-(3-phenylpropionyl)glycine methylthio ester;N-(beta-phenylpropionyl)glycine methylthio ester;NPPGMTE

Chemical Property of N-(3-Phenylpropionyl)glycine methylthio ester

Chemical Property:

• Vapor Pressure: 1.1E-08mmHg at 25°C
• Boiling Point: 461.1°Cat760mmHg
• Flash Point: 232.7°C
• PSA: 88.46000
• Density: 1.156g/cm³
• LogP: 2.34050
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 237.08234989
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CCC(=O)NCC(=O)S

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