| CAS Number | 737763-37-0 |
| Catalog Number | AG00FBYN(AGN-PC-0U3VRO) |
| Chemical Name | 360 A iodide |
| IUPAC Name | 2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide;diiodide |
| InChI | InChI=1S/C27H21N5O2.2HI/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21;;/h3-17H,1-2H3;2*1H |
| InChI Key | CYDYPTJPHHNFEL-UHFFFAOYSA-N |
| MDL Number | MFCD26960939 |
| Molecular Formula | C27H23I2N5O2 |
| Molecular Weight | 703.3128 |
| SMILES | C1C=CC(C(=O)NC2C=C3C=CC=CC3=[N+](C)C=2)=NC=1C(=O)NC1C=[N+](C)C2C=CC=CC=2C=1.[I-].[I-] |
| Synonyms | 360A iodide,
360A (iodide),
737763-37-0,
360 A iodide,
HY-15595A,
CS-1560,
A14976,
3,3'-((pyridine-2,6-dicarbonyl)bis(azanediyl))bis(1-methylquinolin-1-ium) iodide,
|
| Complexity | 674 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 702.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 703.323g/mol |
| Monoisotopic Mass | 702.994g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number