| CAS Number | 1037163-65-7 |
| Catalog Number | AG01DX7L |
| Chemical Name | 6-(propan-2-yloxy)-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 6-propan-2-yloxy-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C12H17NO/c1-9(2)14-11-5-6-12-10(8-11)4-3-7-13-12/h5-6,8-9,13H,3-4,7H2,1-2H3 |
| InChI Key | QUGPTWJNGVTRQZ-UHFFFAOYSA-N |
| MDL Number | MFCD11192493 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | CC(OC1=CC2=C(NCCC2)C=C1)C |
| Synonyms | 6-(PROPAN-2-YLOXY)-1,2,3,4-TETRAHYDROQUINOLINE,
1037163-65-7,
SCHEMBL10909390,
AKOS009260319,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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