| CAS Number | 109774-57-4 |
| Catalog Number | AG00HBL9(AGN-PC-0NE8B3) |
| Chemical Name | DI-TERT-BUTYL BENZYLIMIDODICARBONATE |
| IUPAC Name | tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
| InChI | InChI=1S/C17H25NO4/c1-16(2,3)21-14(19)18(15(20)22-17(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3 |
| InChI Key | UBBCBDIQXSNCEQ-UHFFFAOYSA-N |
| MDL Number | MFCD24465674 |
| Molecular Formula | C17H25NO4 |
| Molecular Weight | 307.3847 |
| SMILES | O=C(N(C(=O)OC(C)(C)C)Cc1ccccc1)OC(C)(C)C |
| Synonyms | Di-tert-butyl benzylimidodicarbonate,
109774-57-4,
Di-tert-butyl benzylimidodiarbonate,
SCHEMBL3819098,
MFCD24465674,
ZINC136624199,
N,N-Bis(tert-butoxycarbonyl)benzylamine,
CID11001299,
Tert-butyl N-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.39g/mol |
| Monoisotopic Mass | 307.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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