2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate

Base Information

• Chemical Name: 2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
• CAS No.: 71598-17-9
• Molecular Formula: C23H28N2O2
• Molecular Weight: 364.48062
• European Community (EC) Number: 275-654-5
• Mol file: 71598-17-9.mol

Synonyms:2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate;3H-Indolium, 2-2-4-(dimethylamino)phenylethenyl-1,3,3-trimethyl-, acetate;2-[2-[4-(Dimethylamino) phenyl]ethenyl]-1,3,3-trimethyl-3H-indolium acetate

Chemical Property of 2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate

Chemical Property:

• Vapor Pressure: 0-1030Pa at 20-25℃
• Boiling Point: 116.6℃[at 101 325 Pa]
• PKA: 3.8[at 20 ℃]
• PSA: 46.38000
• Density: 1.123[at 20℃]
• LogP: 3.18700
• Water Solubility.: 299.494g/L at 25℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 364.215078140
• Heavy Atom Count: 27
• Complexity: 504

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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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)C)C)C
• Isomeric SMILES: CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)N(C)C)C)C

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