3-(1-ethylpiperidin-4-yl)-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole

Base Information

• Chemical Name: 3-(1-ethylpiperidin-4-yl)-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole
• CAS No.: 603067-97-6
• Molecular Formula: C12H19N3O
• Molecular Weight: 221.3
• DSSTox Substance ID: DTXSID30421961
• Mol file: 603067-97-6.mol

Synonyms:603067-97-6;3-(1-Ethylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole;3-(1-ethylpiperidin-4-yl)-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole;DTXSID30421961;4H-Pyrrolo[3,2-d]isoxazole,3-(1-ethyl-4-piperidinyl)-5,6-dihydro-(9ci)

Chemical Property of 3-(1-ethylpiperidin-4-yl)-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole

Chemical Property:

• Boiling Point: 360.1±42.0 °C(Predicted)
• PKA: 8.78±0.10(Predicted)
• PSA: 44.53000
• Density: 1.104±0.06 g/cm3(Predicted)
• LogP: 0.63730
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.152812238
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

99%min ^*data from raw suppliers

3-(1-ETHYL-4-PIPERIDINYL)-5,6-DIHYDRO-4H-PYRROLO[3,2-D]ISOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCC(CC1)C2=NOC3=C2CCN3