N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide

Base Information

• Chemical Name: N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide
• CAS No.: 52811-71-9
• Molecular Formula: C12H16N2O2S
• Molecular Weight: 252.3326
• Hs Code.: 2930909090
• NSC Number: 164032
• DSSTox Substance ID: DTXSID10304041
• Mol file: 52811-71-9.mol

Synonyms:52811-71-9;N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide;N-(1-Amino-4-(methylthio)-1-oxobutan-2-yl)benzamide;Bz-Met-NH2;NSC164032;SCHEMBL4388416;DTXSID10304041;AKOS024324498;NALPHA-BENZOYL-DL-METHIONINAMIDE;NSC-164032;FT-0771070

Chemical Property of N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)benzamide

Chemical Property:

• Vapor Pressure: 3.78E-12mmHg at 25°C
• Refractive Index: 1.577
• Boiling Point: 550.1 °C at 760 mmHg
• PKA: 13.11±0.46(Predicted)
• Flash Point: 286.5 °C
• PSA: 97.49000
• Density: 1.196 g/cm³
• LogP: 2.11460
• Storage Temp.: Store at RT.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 252.09324893
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

NALPHA-BENZOYL-DL-METHIONINAMIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC(C(=O)N)NC(=O)C1=CC=CC=C1