3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate

Base Information

• Chemical Name: 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate
• CAS No.: 63716-96-1
• Molecular Formula: C42H46N2O4•H2O4S•2H2O
• Molecular Weight: 777.02
• DSSTox Substance ID: DTXSID50980126
• Mol file: 63716-96-1.mol

Synonyms:63716-96-1;Ro 2-3202/2;3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate;Acetic acid, diphenyl-, ester with 3-quinuclidinol, hydrogen sulfate (2:1) dihydrate;Azabicyclo(2.2.1)octan-3-ol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate;DTXSID50980126;Sulfuric acid--1-azabicyclo[2.2.2]octan-3-yl diphenylacetate--water (1/2/2)

Chemical Property of 3-Quinuclidinol, diphenylacetate (ester), hydrogen sulfate (2:1) dihydrate

Chemical Property:

• Vapor Pressure: 5.14E-08mmHg at 25°C
• Boiling Point: 442.2°Cat760mmHg
• Flash Point: 145.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 776.33426703
• Heavy Atom Count: 55
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.O.O.OS(=O)(=O)O