3-ethyl-2-[(1Z,3Z)-3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium

Base Information

• Chemical Name: 3-ethyl-2-[(1Z,3Z)-3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
• CAS No.: 37069-75-3
• Molecular Formula: C₂₁H₂₁N₂O₂
• Molecular Weight: 333.41
• Mol file: 37069-75-3.mol

Synonyms:STK711825;3-ethyl-2-[(1Z,3Z)-3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium

Chemical Property of 3-ethyl-2-[(1Z,3Z)-3-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 35.09000
• Density: g/cm³
• LogP: 4.08280
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 333.160302917
• Heavy Atom Count: 25
• Complexity: 474

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CC
• Isomeric SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C/C3=[N+](C4=CC=CC=C4O3)CC