2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate

Base Information

• Chemical Name: 2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate
• CAS No.: 72252-45-0
• Molecular Formula: C24H29ClN2O2
• Molecular Weight: 412.95226
• European Community (EC) Number: 276-537-1
• UNII: LQ5F5X8VBB
• DSSTox Substance ID: DTXSID2072546
• Mol file: 72252-45-0.mol

Synonyms:72252-45-0;3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, acetate;2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate;EINECS 276-537-1;3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate;3H-Indolium, 2-(2-(4-((2-chloroethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, acetate (1:1);3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, acetate (1:1);LQ5F5X8VBB;DTXSID2072546

Chemical Property of 2-(2-(4-((2-Chloroethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium acetate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 412.1917559
• Heavy Atom Count: 29
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCCl)C)C
• Isomeric SMILES: CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)CCCl)C)C

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