2-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate

Base Information

• Chemical Name: 2-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
• CAS No.: 59737-18-7
• Molecular Formula: C22H27N2O4P
• Molecular Weight: 414.434541
• European Community (EC) Number: 261-897-4
• DSSTox Substance ID: DTXSID60975149
• Mol file: 59737-18-7.mol

Synonyms:EINECS 261-897-4;59737-18-7;2-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate;C22H25N2.H2O4P;C22-H25-N2.H2-O4-P;2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate;DTXSID60975149;1,3,3-Trimethyl-2-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethenyl]-3H-indol-1-ium dihydrogen phosphate

Chemical Property of 2-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate

Chemical Property:

• PSA: 96.65000
• LogP: 4.19090
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 414.17084434
• Heavy Atom Count: 29
• Complexity: 594

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2=CC=CC=C2[N+]1=CC=C3C(C4=CC=CC=C4N3C)(C)C.OP(=O)(O)[O-]
• Isomeric SMILES: CC1CC2=CC=CC=C2[N+]1=C/C=C/3\C(C4=CC=CC=C4N3C)(C)C.OP(=O)(O)[O-]

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