3beta,6beta,7beta-Trihydroxytropane

Base Information

• Chemical Name: 3beta,6beta,7beta-Trihydroxytropane
• CAS No.: 575-62-2
• Molecular Formula: C8H15NO3
• Molecular Weight: 173.21
• DSSTox Substance ID: DTXSID101153065
• Nikkaji Number: J239.736F
• Mol file: 575-62-2.mol

Synonyms:DTXSID101153065;3beta,6beta,7beta-trihydroxytropane;575-62-2;rel-(1R,3-endo,5S,6S,7R)-8-Methyl-8-azabicyclo[3.2.1]octane-3,6,7-triol

Chemical Property of 3beta,6beta,7beta-Trihydroxytropane

Chemical Property:

• Melting Point: 168-169 °C
• Boiling Point: 341.8±41.0 °C(Predicted)
• PKA: 13.70±0.60(Predicted)
• Density: 1.386±0.06 g/cm3(Predicted)
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CC(CC1C(C2O)O)O
• Isomeric SMILES: CN1[C@@H]2CC(C[C@H]1[C@@H]([C@@H]2O)O)O