6-Oxa-3-azabicyclo[3.1.1]heptane

Base Information

• Chemical Name: 6-Oxa-3-azabicyclo[3.1.1]heptane
• CAS No.: 112461-31-1
• Molecular Formula: C5H9NO
• Molecular Weight: 99.1326
• DSSTox Substance ID: DTXSID60591808
• Nikkaji Number: J2.993.464I
• Mol file: 112461-31-1.mol

Synonyms:6-oxa-3-azabicyclo[3.1.1]heptane;112461-31-1;6-Oxa-3-aza-bicyclo[3,1,1]heptane;6-OXA-3-AZA-BICYCLO[3.1.1]HEPTANE;DTXSID60591808;WDJAQSJMDRFZIX-UHFFFAOYSA-N;AMY12205;MFCD17480502;AKOS005266506;SB30755;rac-6-oxa-3-aza-bicyclo[3.1.1]heptane;DB-003565;CS-0054896;EN300-89738;W-204785

Chemical Property of 6-Oxa-3-azabicyclo[3.1.1]heptane

Chemical Property:

• Boiling Point: 153.6 °C at 760 mmHg
• PKA: 9.43±0.20(Predicted)
• Flash Point: 46.1 °C
• PSA: 21.26000
• Density: 1.074 g/cm³
• LogP: 0.07590
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.068413911
• Heavy Atom Count: 7
• Complexity: 76.1

Purity/Quality:

99% ^*data from raw suppliers

6-Oxa-3-azabicyclo[3.1.1]heptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CNCC1O2
• Uses: 6-Oxa-3-azabicyclo[3.1.1]heptane is a useful reactant in organic synthesis.