| CAS Number | 162112-35-8 |
| Catalog Number | AG00AL6G(AGN-PC-0KK65F) |
| Chemical Name | NEURODYE GH4-64 |
| IUPAC Name | 3-[4-[(1E,3E,5E)-6-[4-(diethylamino)phenyl]hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide |
| InChI | InChI=1S/C30H45N3.2BrH/c1-6-32(7-2)30-20-18-28(19-21-30)16-13-11-12-14-17-29-22-25-31(26-23-29)24-15-27-33(8-3,9-4)10-5;;/h11-14,16-23,25-26H,6-10,15,24,27H2,1-5H3;2*1H/q+2;;/p-2 |
| InChI Key | AFVSZGYRRUMOFH-UHFFFAOYSA-L |
| MDL Number | MFCD00467819 |
| Molecular Formula | C30H45Br2N3 |
| Molecular Weight | 607.5064 |
| SMILES | [Br-].C(C)N(C1=CC=C(C=C1)C=CC=CC=CC1=CC=[N+](C=C1)CCC[N+](CC)(CC)CC)CC.[Br-] |
| Synonyms | 162112-35-8,
SynaptoRedTM C2,
N-(3-Triethylammoniopropyl)-4-(6-(4-(diethylamino)phenyl) hexatrienyl)pyridinium dibromide,
SynaptoRed™ C2,
AC1O6V5K,
DTXSID00424767,
Pyridinium, 4-[6-[4-(diethylamino)phenyl]- 1,3,5-hexatrienyl]-1-[3-(triethylammonio) propyl]-, dibromide,
RT-023216,
B7754,
J-009895,
3-[4-[(1E,3E,5E)-6-[4-(diethylamino)phenyl]hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]propyl-triethylazanium dibromide,
Fm 4-64,
CID6508728,
|
| Complexity | 561 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Exact Mass | 607.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 607.519g/mol |
| Monoisotopic Mass | 605.198g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 7.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number