2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium chloride

Base Information

• Chemical Name: 2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium chloride
• CAS No.: 6441-84-5
• Deprecated CAS: 61703-04-6
• Molecular Formula: C30H33 N2 O3 . Cl
• Molecular Weight: 505.04762
• European Community (EC) Number: 229-228-0
• DSSTox Substance ID: DTXSID40977287
• Mol file: 6441-84-5.mol

Synonyms:2-(4-(N-methyl-p-phenetidinyl)phenyl)ethenyl-6-methoxycarbonyl-1,3,3-trimethyl-3H-indolium chloride;polymethine;violet polymethine dye;VPM chloride;VPM chloride phosphate

Chemical Property of 2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium chloride

Chemical Property:

• PSA: 51.13000
• LogP: 7.04380
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 504.2179706
• Heavy Atom Count: 36
• Complexity: 787

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)C=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)C(=O)OC)C.[Cl-]
• Isomeric SMILES: CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)/C=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)C(=O)OC)C.[Cl-]

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