| CAS Number | 1798715-69-1 |
| Catalog Number | AG01BESL(AGN-PC-0WOFPZ) |
| Chemical Name | benzyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoate |
| IUPAC Name | benzyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-2-enoate |
| InChI | InChI=1S/C20H27NO6/c1-14(16(22)25-13-15-11-9-8-10-12-15)21(17(23)26-19(2,3)4)18(24)27-20(5,6)7/h8-12H,1,13H2,2-7H3 |
| InChI Key | BWSDQQVQCZIBQV-UHFFFAOYSA-N |
| MDL Number | MFCD28118417 |
| Molecular Formula | C20H27NO6 |
| Molecular Weight | 377.4315 |
| SMILES | CC(OC(N(C(OC(C)(C)C)=O)C(C(OCC1=CC=CC=C1)=O)=C)=O)(C)C |
| Synonyms | 1798715-69-1,
benzyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoate,
SCHEMBL19410167,
ZINC98209750,
AKOS026740849,
FCH3134296,
EN300-183218,
benzyl 2-[bis(tert-butoxycarbonyl)amino]acrylate,
Z1925930331,
|
| Complexity | 536 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.183838g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.4g/mol |
| Monoisotopic Mass | 377.183838g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 82.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number