| CAS Number | 2183473-06-3 |
| Catalog Number | AG019EHG |
| Chemical Name | BDP R6G amine |
| IUPAC Name | N-(6-aminohexyl)-3-(2,2-difluoro-12-phenyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)propanamide;hydrochloride |
| InChI | InChI=1S/C24H29BF2N4O.ClH/c26-25(27)30-20(13-15-24(32)29-17-7-2-1-6-16-28)10-11-21(30)18-22-12-14-23(31(22)25)19-8-4-3-5-9-19;/h3-5,8-12,14,18H,1-2,6-7,13,15-17,28H2,(H,29,32);1H |
| InChI Key | MNYJFICGJSOWBU-UHFFFAOYSA-N |
| MDL Number | MFCD31580150 |
| Molecular Formula | C24H30BClF2N4O |
| Molecular Weight | 474.7820 |
| SMILES | [B-]1(N2C(=CC=C2CCC(=O)NCCCCCC[NH3+])C=C3[N+]1=C(C=C3)C4=CC=CC=C4)(F)F.[Cl-] |
| Synonyms | BDP R6G amine hydrochloride,
2183473-06-3,
|
| Complexity | 776 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 474.216926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 474.8g/mol |
| Monoisotopic Mass | 474.216926g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 63.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number