N-(2-Hydroxy-1,1-dimethylethyl)-2-isopropyl-2,3-dimethylbutyramide

Base Information

• Chemical Name: N-(2-Hydroxy-1,1-dimethylethyl)-2-isopropyl-2,3-dimethylbutyramide
• CAS No.: 51115-76-5
• Molecular Formula: C13H27 N O2
• Molecular Weight: 229.35898
• European Community (EC) Number: 256-983-3
• DSSTox Substance ID: DTXSID10199131
• Wikidata: Q83072029
• Mol file: 51115-76-5.mol

Synonyms:EINECS 256-983-3;51115-76-5;N-(2-Hydroxy-1,1-dimethylethyl)-2-isopropyl-2,3-dimethylbutyramide;SCHEMBL11344874;DTXSID10199131

Chemical Property of N-(2-Hydroxy-1,1-dimethylethyl)-2-isopropyl-2,3-dimethylbutyramide

Chemical Property:

• Vapor Pressure: 9.12E-07mmHg at 25°C
• Boiling Point: 363.8°Cat760mmHg
• PKA: 15.02±0.10(Predicted)
• Flash Point: 173.8°C
• PSA: 52.82000
• Density: 0.927g/cm³
• LogP: 3.03210
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 229.204179104
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)(C(C)C)C(=O)NC(C)(C)CO

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