| CAS Number | 845647-69-0 |
| Catalog Number | AG00IDE9(AGN-PC-0USBDE) |
| Chemical Name | ethyl 4-(tert-butoxycarbonyl(methyl) amino)benzoate |
| IUPAC Name | ethyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]benzoate |
| InChI | InChI=1S/C15H21NO4/c1-5-19-14(18)11-6-8-12(9-7-11)16-10-13(17)20-15(2,3)4/h6-9,16H,5,10H2,1-4H3 |
| InChI Key | IRDNVXLESURHEL-UHFFFAOYSA-N |
| MDL Number | MFCD14635820 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | CCOC(=O)C1=CC=C(NCC(=O)OC(C)(C)C)C=C1 |
| Synonyms | 845647-69-0,
Ethyl 4-(tert-butoxycarbonyl(methyl) amino)benzoate,
Ethyl 4-((2-(tert-butoxy)-2-oxoethyl)amino)benzoate,
MFCD14635820,
AKOS027255064,
ZINC255188126,
AS-44957,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.336g/mol |
| Monoisotopic Mass | 279.147g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number