| CAS Number | 857759-22-9 |
| Catalog Number | AG01AR8O |
| Chemical Name | 1-Benzoyl-1,2,3,4-tetrahydroquinolin-6-amine |
| IUPAC Name | (6-amino-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone |
| InChI | InChI=1S/C16H16N2O/c17-14-8-9-15-13(11-14)7-4-10-18(15)16(19)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2 |
| InChI Key | OUQDZNUIDTTYFX-UHFFFAOYSA-N |
| MDL Number | MFCD09261804 |
| Molecular Formula | C16H16N2O |
| Molecular Weight | 252.3110 |
| SMILES | C1=CC=C(C=C1)C(=O)N2CCCC3=CC(=CC=C32)N |
| Synonyms | 1-benzoyl-1,2,3,4-tetrahydroquinolin-6-amine,
857759-22-9,
ZINC11847699,
AKOS000225323,
MCULE-6025762829,
1-benzoyl-3,4-dihydro-2H-quinolin-6-amine,
F2189-0261,
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.317g/mol |
| Monoisotopic Mass | 252.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number