3-Methyl-2-(3-{1-[3-(trimethylazaniumyl)propyl]pyridin-4(1H)-ylidene}prop-2-en-1-yl)-1,3-benzoxazol-3-ium diiodide

Base Information

• Chemical Name: 3-Methyl-2-(3-{1-[3-(trimethylazaniumyl)propyl]pyridin-4(1H)-ylidene}prop-2-en-1-yl)-1,3-benzoxazol-3-ium diiodide
• CAS No.: 161016-55-3
• Molecular Formula: C22H29 N3 O . 2 I
• Molecular Weight: 605.29
• DSSTox Substance ID: DTXSID80698989
• Mol file: 161016-55-3.mol

Synonyms:DTXSID80698989;3-Methyl-2-(3-{1-[3-(trimethylazaniumyl)propyl]pyridin-4(1H)-ylidene}prop-2-en-1-yl)-1,3-benzoxazol-3-ium diiodide

Chemical Property of 3-Methyl-2-(3-{1-[3-(trimethylazaniumyl)propyl]pyridin-4(1H)-ylidene}prop-2-en-1-yl)-1,3-benzoxazol-3-ium diiodide

Chemical Property:

• Melting Point: >250℃
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 21.95000
• Density: g/cm³
• LogP: -3.06190
• Solubility.: Soluble in dimethyl sulfoxide
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 605.04001
• Heavy Atom Count: 28
• Complexity: 579

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=C(OC2=CC=CC=C21)CC=C=C3C=CN(C=C3)CCC[N+](C)(C)C.[I-].[I-]