6-[(Butan-2-yl)amino]octahydroindolizine-1,7,8-triol

Base Information

• Chemical Name: 6-[(Butan-2-yl)amino]octahydroindolizine-1,7,8-triol
• CAS No.: 156205-79-7
• Molecular Formula: C12H24 N2 O3
• Molecular Weight: 244.33
• DSSTox Substance ID: DTXSID40703407
• Mol file: 156205-79-7.mol

Synonyms:156205-79-7;6-[(Butan-2-yl)amino]octahydroindolizine-1,7,8-triol;DTXSID40703407;RUZODLPHOGMTHB-UHFFFAOYSA-N;1,7,8-Indolizinetriol, octahydro-6-[(1-methylpropyl)amino]-

Chemical Property of 6-[(Butan-2-yl)amino]octahydroindolizine-1,7,8-triol

Chemical Property:

• Boiling Point: 412.7±45.0 °C(Predicted)
• PKA: 13.82±0.70(Predicted)
• PSA: 75.96000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: -0.75750
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 244.17869263
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)NC1CN2CCC(C2C(C1O)O)O