3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetate

Base Information

• Chemical Name: 3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetate
• CAS No.: 72089-18-0
• Molecular Formula: C24H26N2O2
• Molecular Weight: 374.47544
• European Community (EC) Number: 276-334-8
• DSSTox Substance ID: DTXSID9072498
• Mol file: 72089-18-0.mol

Synonyms:72089-18-0;3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetate;EINECS 276-334-8;1,3,3-Trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-3H-indolium acetate;1,3,3-Trimethyl-2-(2-(2-methyl-1H-indol-3-yl)vinyl)-3H-indolium acetate;3H-Indolium, 1,3,3-trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-, acetate;DTXSID9072498;3H-Indolium, 1,3,3-trimethyl-2-(2-(2-methyl-1H-indol-3-yl)ethenyl)-, acetate (1:1)

Chemical Property of 3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, acetate

Chemical Property:

• PSA: 58.93000
• LogP: 3.91070
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 374.199428076
• Heavy Atom Count: 28
• Complexity: 570

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2N1)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C.CC(=O)[O-]
• Isomeric SMILES: CC1=C(C2=CC=CC=C2N1)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.CC(=O)[O-]

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