| CAS Number | 1004548-96-2 |
| Catalog Number | AG008Y4H |
| Chemical Name | FFN511 |
| IUPAC Name | 6-(2-aminoethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C17H20N2O2.C2HF3O2/c18-6-5-11-10-15(20)21-17-13-4-2-8-19-7-1-3-12(16(13)19)9-14(11)17;3-2(4,5)1(6)7/h9-10H,1-8,18H2;(H,6,7) |
| InChI Key | XHUSAIWAUAMZRG-UHFFFAOYSA-N |
| MDL Number | MFCD16037714 |
| Molecular Formula | C17H20N2O2 |
| Molecular Weight | 284.3529 |
| SMILES | O=C1OC2=C(C=C3C4=C2CCCN4CCC3)C(=C1)CCN |
| Synonyms | 8-(2-amino-ethyl)-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo(de)anthracen-10-one,
FFN511,
1004548-96-2,
FFN 511,
FFN511 TFA salt,
FFN511,
AOB4983,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.382g/mol |
| Monoisotopic Mass | 398.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number