| CAS Number | 126115-86-4 |
| Catalog Number | AG000RNB(AGN-PC-0782GD) |
| Chemical Name | Pyridinium, 1-octadecyl-4-(2-phenylethenyl)-, bromide (1:1) |
| IUPAC Name | 1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium;bromide |
| InChI | InChI=1S/C31H48N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-28-25-31(26-29-32)24-23-30-21-18-17-19-22-30;/h17-19,21-26,28-29H,2-16,20,27H2,1H3;1H/q+1;/p-1/b24-23+; |
| InChI Key | FEIYCOMNTWABLV-XMXXDQCKSA-M |
| MDL Number | MFCD00060044 |
| Molecular Formula | C31H48BrN |
| Molecular Weight | 514.6235 |
| SMILES | [Br-].CCCCCCCCCCCCCCCCCC[n+]1ccc(C=Cc2ccccc2)cc1 |
| Synonyms | N-Octadecyl-4-stilbazole Bromide,
n-n-octadecyl-4-stilbazole bromide,
126115-86-4,
1-Octadecyl-4-styrylpyridin-1-ium bromide,
N-Stearyl-4-stilbazole Bromide,
MFCD00060044,
AKOS015911365,
RTR-003846,
(E)-1-octadecyl-4-styrylpyridinium bromide,
TR-003846,
O0192,
C-44695,
J-005331,
I14-38412,
Pyridinium,1-octadecyl-4-(2-phenylethenyl)-,bromide(1:1),
|
| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 513.297g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 514.636g/mol |
| Monoisotopic Mass | 513.297g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 3.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number