| CAS Number | 1820604-90-7 |
| Catalog Number | AG00I0GF(AGN-PC-0WR47R) |
| Chemical Name | tert-Butyl 6-cyano-3,4-dihydro-2H-quinoline-1-carboxylate |
| IUPAC Name | tert-butyl 6-cyano-3,4-dihydro-2H-quinoline-1-carboxylate |
| InChI | InChI=1S/C15H18N2O2/c1-15(2,3)19-14(18)17-8-4-5-12-9-11(10-16)6-7-13(12)17/h6-7,9H,4-5,8H2,1-3H3 |
| InChI Key | QHEJNYOOZFBYQT-UHFFFAOYSA-N |
| MDL Number | MFCD27918619 |
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.3156 |
| SMILES | CC(OC(N1C2=C(C=C(C=C2)C#N)CCC1)=O)(C)C |
| Synonyms | TERT-BUTYL 6-CYANO-3,4-DIHYDRO-2H-QUINOLINE-1-CARBOXYLATE,
1820604-90-7,
ZINC96029234,
FCH2897959,
EN300-221199,
Z-9385,
6-Cyano-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.321g/mol |
| Monoisotopic Mass | 258.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number