3-(Azepan-1-yl)propanoic acid

Base Information

• Chemical Name: 3-(Azepan-1-yl)propanoic acid
• CAS No.: 730996-05-1
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.24
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40390331
• Mol file: 730996-05-1.mol

Synonyms:3-(azepan-1-yl)propanoic acid;730996-05-1;3-azepan-1-ylpropanoic acid;3-Azepan-1-yl-propionic acid;3-azepan-1-ylpropanoic acid hydrochloride;3azepan-1-yl-propionic acid;3-(1-azepanyl)propanoic acid;3-(azepan-1-yl)propanoicacid;3-Azepan-1-yl-propanoic acid;SCHEMBL5313692;DTXSID40390331;BBL015187;MFCD06208888;STK392513;AKOS000271845;BS-17475;BB 0219160;CS-0124948;FT-0677779;D82188;AO-365/42797786

Chemical Property of 3-(Azepan-1-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000303mmHg at 25°C
• Boiling Point: 298.4°C at 760 mmHg
• PKA: 3.83±0.10(Predicted)
• Flash Point: 134.3°C
• PSA: 40.54000
• Density: 1.044g/cm³
• LogP: 1.27500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

3-Azepan-1-yl-propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CCC(=O)O
• Uses: 3-(Azepan-1-yl)propanoic Acid Hydrochloride is used in synthesis of uni-nuclear and bi-nuclear tertiary ammonium ionic liquids used for preparation of tri-Bu citrate.