Benz[cd]indolium, 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl]-, acetate (salt)

Base Information

• Chemical Name: Benz[cd]indolium, 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl]-, acetate (salt)
• CAS No.: 72639-27-1
• Molecular Formula: C29H34N2O3
• Molecular Weight: 458.59186
• European Community (EC) Number: 276-749-4
• DSSTox Substance ID: DTXSID20888165
• Mol file: 72639-27-1.mol

Synonyms:72639-27-1;Benz[cd]indolium, 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl]-, acetate (salt);DTXSID20888165;Benz[cd]indolium, 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl]-, acetate (1:1)

Chemical Property of Benz[cd]indolium, 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl]-, acetate (salt)

Chemical Property:

• PSA: 66.61000
• LogP: 4.21920
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 458.25694295
• Heavy Atom Count: 34
• Complexity: 855

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC3=C2C(=CC=C3)C1=C4C=CC5=[N+](C(CC(C5=C4)C)(C)C)CCO.CC(=O)[O-]

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