| CAS Number | 1173024-83-3 |
| Catalog Number | AG01ARRI |
| Chemical Name | 7-amino-1-azatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-trien-2-one |
| IUPAC Name | 7-amino-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one |
| InChI | InChI=1S/C12H14N2O/c13-10-6-8-2-1-5-14-11(15)4-3-9(7-10)12(8)14/h6-7H,1-5,13H2 |
| InChI Key | BICPLTPRFPFIIB-UHFFFAOYSA-N |
| MDL Number | MFCD11987118 |
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.2524 |
| SMILES | NC1C=C2C3=C(CCCN3C(CC2)=O)C=1 |
| Synonyms | 9-amino-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one,
1173024-83-3,
ZINC34936211,
AKOS015957633,
MCULE-5632556757,
F2189-0229,
7-amino-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.257g/mol |
| Monoisotopic Mass | 202.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number