| CAS Number | 41381-73-1 |
| Catalog Number | AG01DWF5(AGN-PC-0228TR) |
| Chemical Name | 7-Methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 7-methoxy-2,2,4-trimethyl-3,4-dihydro-1H-quinoline |
| InChI | InChI=1S/C13H19NO/c1-9-8-13(2,3)14-12-7-10(15-4)5-6-11(9)12/h5-7,9,14H,8H2,1-4H3 |
| InChI Key | JOQIPMNHEXDDIH-UHFFFAOYSA-N |
| MDL Number | MFCD22056846 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | COC1=CC=C2C(CC(NC2=C1)(C)C)C |
| Synonyms | 7-METHOXY-2,2,4-TRIMETHYL-1,2,3,4-TETRAHYDROQUINOLINE,
41381-73-1,
SCHEMBL8604696,
ALBB-032566,
AKOS022692890,
2,2,4-Trimethyl-7-methoxy-1,2,3,4-tetrahydroquinoline,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number