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| Name |
4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide |
EINECS | N/A |
| CAS No. | 114041-00-8 | Density | g/cm3 |
| PSA | 7.12000 | LogP | 11.45450 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C46H79 N2 . I | Boiling Point | °Cat760mmHg |
| Molecular Weight | 787.04 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
Pyridinium,4-[2-[4-(dihexadecylamino)phenyl]ethenyl]-1-methyl-, iodide (9CI); 4-[4-(Dihexadecylamino)styryl]-N-methylpyridiniumiodide; 4-[4-(Dihexadecylamino)styryl]methylpyridinium iodide |
4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide Chemical Properties
Molecular Structure of 4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide (CAS No. 114041-00-8):
IUPAC Name: N,N-Dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
Molecular Formula: C46H79IN2
Molecular Weight: 787.037330 g/mol
CAS Registry Number: 114041-00-8
Polar Surface Area: 7.12 Å2
Structure Descriptors of 4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide (CAS No. 114041-00-8):
SMILES: [I-].c2(\C=C\c1cc[n+](cc1)C)ccc(N(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)cc2
InChI: InChI=1/C46H79N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45;/h32-39,42-43H,4-31,40-41H2,1-3H3;1H/q+1;/p-1
InChIKey: YPGZWUVVEWKKDQ-REWHXWOFAY
Std. InChI: InChI=1S/C46H79N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45;/h32-39,42-43H,4-31,40-41H2,1-3H3;1H/q+1;/p-1
Std. InChIKey: YPGZWUVVEWKKDQ-UHFFFAOYSA-M
4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide Specification
4-[2-[4-(Bishexadecylamino)phenyl]ethenyl]-1-methylpyridinium iodide with cas registry number of 114041-00-8 is also called 4-(4-Dihexadecylaminostyryl)-N-methylpyridium ; 4-(2-(4-(Dihexadecylamino)phenyl)ethenyl)-1-methylpyridinium iodide ; 4-(4-Dihexadecylaminostyryl)N-methylpyridium, iodide ; DIASP ; DiA ; Pyridinium, 4-(2-(4-(dihexadecylamino)phenyl)ethenyl)-1-methyl-, iodide .
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