| CAS Number | 1105193-12-1 |
| Catalog Number | AG01AQQP(AGN-PC-0WCNZW) |
| Chemical Name | ethyl 3-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate |
| IUPAC Name | ethyl 3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C13H17NO2/c1-3-16-12(15)13(2)8-10-6-4-5-7-11(10)14-9-13/h4-7,14H,3,8-9H2,1-2H3 |
| InChI Key | CBGPRWHIGZYREM-UHFFFAOYSA-N |
| MDL Number | MFCD16653016 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | CCOC(C1(CC2=C(C=CC=C2)NC1)C)=O |
| Synonyms | Ethyl 3-methyl-1,2,3,4-tetrahydro-3-quinolinecarboxylate,
1105193-12-1,
F2147-0164,
ethyl 3-methyl-2,4-dihydro-1H-quinoline-3-carboxylate,
AKOS015957880,
MCULE-3214180905,
VU0494764-1,
L-4691,
ethyl 3-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number