| CAS Number | 1179622-21-9 |
| Catalog Number | AG019STU |
| Chemical Name | 1-[(tert-Butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-5-carboxylic acid |
| IUPAC Name | 1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid |
| InChI | InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-9-5-7-10-11(13(17)18)6-4-8-12(10)16/h4,6,8H,5,7,9H2,1-3H3,(H,17,18) |
| InChI Key | ZBAUJKDHNXTZOO-UHFFFAOYSA-N |
| MDL Number | MFCD18263657 |
| Molecular Formula | C15H19NO4 |
| Molecular Weight | 277.3157 |
| SMILES | C(C)(C)(C)OC(=O)N1CCCC=2C(=CC=CC12)C(=O)O |
| Synonyms | 1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-5-carboxylic acid,
1179622-21-9,
SCHEMBL20571049,
ZINC37584809,
AKOS010051012,
MCULE-9476174330,
NE36648,
Z1270387288,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.32g/mol |
| Monoisotopic Mass | 277.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number