ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methylpropyl)amino]propanoate

Base Information

• Chemical Name: ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methylpropyl)amino]propanoate
• CAS No.: 82560-64-3
• Molecular Formula: C21H32 N2 O5 S
• Molecular Weight: 424.55
• DSSTox Substance ID: DTXSID50231862
• Wikidata: Q83112848
• Mol file: 82560-64-3.mol

Synonyms:82560-64-3;ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methylpropyl)amino]propanoate;beta-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(2-methylpropyl)-, ethyl ester;DTXSID50231862;LS-16051

Chemical Property of ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-(2-methylpropyl)amino]propanoate

Chemical Property:

• Vapor Pressure: 1.93E-10mmHg at 25°C
• Boiling Point: 508°C at 760 mmHg
• PKA: 1.60±0.70(Predicted)
• Flash Point: 261°C
• PSA: 93.61000
• Density: 1.158g/cm³
• LogP: 4.30510
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 424.20319330
• Heavy Atom Count: 29
• Complexity: 557

Purity/Quality:

99% ，98% ^*data from raw suppliers

BETA-ALANINE, N-(((((2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL)OXY)CARBO NYL)METHYLAMINO)THIO)-N-(2-METHYLPROPYL)-, ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCN(CC(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C