| CAS Number | 1152866-99-3 |
| Catalog Number | AG01BFGN |
| Chemical Name | 3-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)butan-2-one |
| IUPAC Name | 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one |
| InChI | InChI=1S/C14H19NO/c1-10-6-7-14-13(9-10)5-4-8-15(14)11(2)12(3)16/h6-7,9,11H,4-5,8H2,1-3H3 |
| InChI Key | XUCXDXDMAURJCM-UHFFFAOYSA-N |
| MDL Number | MFCD12147135 |
| Molecular Formula | C14H19NO |
| Molecular Weight | 217.3068 |
| SMILES | CC(C(C)=O)N1C2=C(C=C(C=C2)C)CCC1 |
| Synonyms | 3-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)butan-2-one,
1152866-99-3,
SCHEMBL16234630,
AKOS009050749,
NE62188,
Z1889975645,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.312g/mol |
| Monoisotopic Mass | 217.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number