| CAS Number | 936829-00-4 |
| Catalog Number | AG019Q0V(AGN-PC-0WOFC9) |
| Chemical Name | 2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid |
| InChI | InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-8-10-6-4-5-7-11(10)12(9-16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18) |
| InChI Key | WMNIWMKVBYZQNH-UHFFFAOYSA-N |
| MDL Number | MFCD11036358 |
| Molecular Formula | C15H19NO4 |
| Molecular Weight | 277.3157 |
| SMILES | C(=O)(O)C1c2c(CN(C1)C(=O)OC(C)(C)C)cccc2 |
| Synonyms | 936829-00-4,
2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid,
2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid,
SCHEMBL3703899,
MFCD11036358,
AKOS014597462,
2-[(t-Butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number