3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, methyl sulfate

Base Information

• Chemical Name: 3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, methyl sulfate
• CAS No.: 71873-57-9
• Molecular Formula: C24H28ClN3O4S
• Molecular Weight: 490.01482
• European Community (EC) Number: 276-130-9
• Mol file: 71873-57-9.mol

Synonyms:EINECS 276-130-9;3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, methyl sulfate;3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, methyl sulfate (1:1);71873-57-9;3H-Indolium, 5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, methyl sulfate;5-Chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)vinyl)-1,3,3-trimethyl-3H-indolium methyl sulphate;5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate;C23H25ClN3.CH3O4S;C23-H25-Cl-N3.C-H3-O4-S;3H-Indolium, 5-chloro-2-[2-[4-[(2-cyanoethyl) methylamino]phenyl]ethenyl]-1,3,3-trimethyl -, methyl sulfate;5-CHLORO-2-[2-[4-[(2-CYANOETHYL)METHYLAMINO]PHENYL]VINYL]-1,3,3-TRIMETHYL-3H-INDOLIUM METHYL SULFATE

Chemical Property of 3H-Indolium, 5-chloro-2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, methyl sulfate

Chemical Property:

• PSA: 104.85000
• LogP: 5.54188
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 489.1489053
• Heavy Atom Count: 33
• Complexity: 724

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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