| CAS Number | 954565-45-8 |
| Catalog Number | AG01A8KX |
| Chemical Name | 2-(4-Aminophenyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one |
| IUPAC Name | 2-(4-aminophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone |
| InChI | InChI=1S/C17H18N2O/c18-15-9-7-13(8-10-15)12-17(20)19-11-3-5-14-4-1-2-6-16(14)19/h1-2,4,6-10H,3,5,11-12,18H2 |
| InChI Key | RGHPZWWKTGVVPG-UHFFFAOYSA-N |
| MDL Number | MFCD09741162 |
| Molecular Formula | C17H18N2O |
| Molecular Weight | 266.3376 |
| SMILES | NC1=CC=C(CC(N2C3=C(C=CC=C3)CCC2)=O)C=C1 |
| Synonyms | 2-(4-aminophenyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one,
954565-45-8,
AC1Q51Z0,
CTK7D7361,
ZINC19257000,
AKOS000150771,
MCULE-3375704674,
NE25656,
EN300-61867,
1-(4-Aminophenylacetyl)-1,2,3,4-tetrahydroquinoline,
4-[2-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-2-OXOETHYL]ANILINE,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.344g/mol |
| Monoisotopic Mass | 266.142g/mol |
| Rotatable Bond Count | 2 |
| 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