Basic Information | Post buying leads | Suppliers |
Name |
1,1'-Dihexadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate |
EINECS | N/A |
CAS No. | 84109-11-5 | Density | N/A |
PSA | 80.52000 | LogP | 17.50140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C55H89ClN2O4 | Boiling Point | N/A |
Molecular Weight | 877.76 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3H-INDOLIUM, 1-HEXADECYL-2-[3-(1-HEXADECYL-1,3-DIHYDRO-3,3-DIMETHYL-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3,3-DIMETHYL-, PERCHLORATE;1-HEXADECYL-2-[(E)-3-(1-HEXADECYL-3,3-DIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3,3-DIMETHYL-3H-INDOLIUM PERCHLORATE;1,1-DIHEXADECYL-3,3,3,3-TETRAMETHYLINDOCARBOCYANINE PERCHLORATE;DILC16(3);DIIC16(3) |
The 1,1'-Dihexadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate, with CAS registry number 84109-11-5, has the systematic name of 1-hexadecyl-2-[(E,3E)-3-(1-hexadecyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium perchlorate. And the chemical formula of this chemical is C55H89ClN2O4.
Physical properties of 1,1'-Dihexadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 32; (4)Polar Surface Area: 80.52 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCCN1c2ccccc2C(C1=CC=CC3=[N+](c4ccccc4C3(C)C)CCCCCCCCCCCCCCCC)(C)C.[O-]Cl(=O)(=O)=O
(2)InChI: InChI=1/C55H89N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-56-50-42-35-33-40-48(50)54(3,4)52(56)44-39-45-53-55(5,6)49-41-34-36-43-51(49)57(53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h33-36,39-45H,7-32,37-38,46-47H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
(3)InChIKey: HBTWOEFPWHHORE-REWHXWOFAB
(4)Std. InChI: InChI=1S/C55H89N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-56-50-42-35-33-40-48(50)54(3,4)52(56)44-39-45-53-55(5,6)49-41-34-36-43-51(49)57(53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h33-36,39-45H,7-32,37-38,46-47H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
(5)Std. InChIKey: HBTWOEFPWHHORE-UHFFFAOYSA-M