Chemical Property of 5,5'-Dicyano-3-(4-sulfobutyl)-1,1',3'-triethylimidacarbocyanine betaine
Chemical Property:
- Melting Point:220 °C (dec.)(lit.)
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- PSA:131.83000
- Density:g/cm3
- LogP:4.66926
- XLogP3:4.2
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:7
- Rotatable Bond Count:9
- Exact Mass:544.22566008
- Heavy Atom Count:39
- Complexity:1100
- Purity/Quality:
-
85.0-99.8% *data from raw suppliers
5,5'-DICYANO-3-(4-SULFOBUTYL)-1,1',3'-TRIETHYLIMIDACARBOCYANINE BETAINE 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:Xi
- Statements:
36/37/38
- Safety Statements:
26-36
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCN1C2=C(C=C(C=C2)C#N)N(C1=CC=CC3=[N+](C4=C(N3CCCCS(=O)(=O)[O-])C=C(C=C4)C#N)CC)CC
- Isomeric SMILES:CCN\1C2=C(C=C(C=C2)C#N)N(/C1=C/C=C/C3=[N+](C4=C(N3CCCCS(=O)(=O)[O-])C=C(C=C4)C#N)CC)CC