2-((4H-1,3-Benzodioxin-6-ylmethylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium methyl sulphate

Base Information

• Chemical Name: 2-((4H-1,3-Benzodioxin-6-ylmethylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium methyl sulphate
• CAS No.: 77536-70-0
• Molecular Formula: C22H27N3O6S
• Molecular Weight: 461.53128
• European Community (EC) Number: 278-715-4
• Mol file: 77536-70-0.mol

Synonyms:EINECS 278-715-4;77536-70-0;2-((4H-1,3-Benzodioxin-6-ylmethylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium methyl sulphate;DTXSID70228239

Chemical Property of 2-((4H-1,3-Benzodioxin-6-ylmethylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium methyl sulphate

Chemical Property:

• PSA: 118.40000
• LogP: 5.35570
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 461.16205676
• Heavy Atom Count: 32
• Complexity: 662

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2[N+](=C1C=NNCC3=CC4=C(C=C3)OCOC4)C)C.COS(=O)(=O)[O-]
• Isomeric SMILES: CC1(C2=CC=CC=C2[N+](=C1/C=N/NCC3=CC4=C(C=C3)OCOC4)C)C.COS(=O)(=O)[O-]

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