1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate

Base Information

• Chemical Name: 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate
• CAS No.: 50836-16-3
• Molecular Formula: C29H37NO12
• Molecular Weight: 399.48
• DSSTox Substance ID: DTXSID70198867
• Mol file: 50836-16-3.mol

Synonyms:1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate;50836-16-3;2-(2-Diethylaminoethoxy)ethyl 2-phenyl-1,3-benzodioxole-2-acetate citrate;DTXSID70198867;LS-34631

Chemical Property of 1,3-Benzodioxole-2-acetic acid, 2-phenyl-, 2-(2-diethylaminoethoxy)ethyl ester, citrate

Chemical Property:

• Vapor Pressure: 1.03E-10mmHg at 25°C
• Boiling Point: 515°C at 760 mmHg
• PKA: 9.68±0.25(Predicted)
• Flash Point: 265.2°C
• PSA: 189.36000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 2.35400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 17
• Exact Mass: 591.23157562
• Heavy Atom Count: 42
• Complexity: 703

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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Useful:

• Canonical SMILES: CCN(CC)CCOCCOC(=O)CC1(OC2=CC=CC=C2O1)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

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