| CAS Number | 2183473-03-0 |
| Catalog Number | AG019EHF |
| Chemical Name | N-(6-Aminohexyl)-3-(5,5-difluoro-7,9-dimethyl-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)propanamide hydrochloride |
| IUPAC Name | N-(6-aminohexyl)-3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanamide;hydrochloride |
| InChI | InChI=1S/C20H29BF2N4O.ClH/c1-15-13-16(2)26-19(15)14-18-8-7-17(27(18)21(26,22)23)9-10-20(28)25-12-6-4-3-5-11-24;/h7-8,13-14H,3-6,9-12,24H2,1-2H3,(H,25,28);1H |
| InChI Key | YZXOISGBDDZJIU-UHFFFAOYSA-N |
| MDL Number | MFCD31580151 |
| Molecular Formula | C20H30BClF2N4O |
| Molecular Weight | 426.7392 |
| SMILES | Cl.O=C(NCCCCCCN)CCC1=CC=C2C=C3C(=CC(=[N]3[B+3]([F-])([F-])[N-]21)C)C |
| Synonyms | BDP FL amine HCl,
2183473-03-0,
|
| Complexity | 692 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 426.216926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 426.7g/mol |
| Monoisotopic Mass | 426.216926g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 63.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number