| CAS Number | 741275-29-6 |
| Catalog Number | AG00ICH9(AGN-PC-0U4IFI) |
| Chemical Name | Methyl 4-(tert-butoxycarbonyl(methyl)amino)benzoate |
| IUPAC Name | methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate |
| InChI | InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)15(4)11-8-6-10(7-9-11)12(16)18-5/h6-9H,1-5H3 |
| InChI Key | SRTMAANFKWEYHH-UHFFFAOYSA-N |
| MDL Number | MFCD14583096 |
| Molecular Formula | C14H19NO4 |
| Molecular Weight | 265.305 |
| SMILES | COC(=O)c1ccc(cc1)N(C(=O)OC(C)(C)C)C |
| Synonyms | 741275-29-6,
Methyl 4-(tert-butoxycarbonyl(methyl)amino)benzoate,
Methyl 4-((tert-butoxycarbonyl)(methyl)amino)benzoate,
SCHEMBL17713232,
MFCD14583096,
ZINC36473614,
AKOS027254937,
Methyl[4-(methoxycarbonyl)phenyl](tert-butoxycarbonyl)amine,
CID11846253,
Methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.309g/mol |
| Monoisotopic Mass | 265.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number