Chemical Property of 3-[6-ethoxycarbonyl-2-[(E,3Z)-3-(5-ethoxycarbonyl-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]propane-1-sulfonate
Chemical Property:
- PSA：136.85000
- LogP:4.88920
- XLogP3:4.9
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:9
- Rotatable Bond Count:14
- Exact Mass:624.26177080
- Heavy Atom Count:44
- Complexity:1140
- Purity/Quality:
-
97% *data from raw suppliers
5-CARBETHOXY-1-ETHYL-3-(3-SULFOPROPYL)-2-[3-(5-CARBETHOXY-1,3-DIETHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-YLIDENE)-1-PROPENYL]-1H-BENZIMIDAZOLIUM INNER SALT 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=CC3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)C(=O)OCC)CC)CC
- Isomeric SMILES:CCN\1C2=C(C=C(C=C2)C(=O)OCC)N(/C1=C\C=C\C3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)C(=O)OCC)CC)CC
