1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide

Base Information

• Chemical Name: 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide
• CAS No.: 56471-42-2
• Molecular Formula: C16H31 N O2
• Molecular Weight: 269.42284
• European Community (EC) Number: 260-203-7
• DSSTox Substance ID: DTXSID60971883
• Nikkaji Number: J296.684K
• Mol file: 56471-42-2.mol

Synonyms:56471-42-2;1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide;EINECS 260-203-7;DTXSID60971883;N-(2-Hydroxy-1,1-dimethylethyl)-1-(1-methylpropyl)cycloheptanecarboxamide;1-(Butan-2-yl)-N-(1-hydroxy-2-methylpropan-2-yl)cycloheptane-1-carboximidic acid

Chemical Property of 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide

Chemical Property:

• Boiling Point: 427.9±24.0 °C(Predicted)
• PKA: 15.00±0.10(Predicted)
• PSA: 49.33000
• Density: 0.967±0.06 g/cm3(Predicted)
• LogP: 3.65110
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 269.235479232
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1(CCCCCC1)C(=O)NC(C)(C)CO