| CAS Number | 174138-01-3 |
| Catalog Number | AG00J0TM(AGN-PC-0QAGAD) |
| Chemical Name | 1,4-di-tert-butyl 1,4,7-triazonane-1,4-dicarboxylate |
| IUPAC Name | ditert-butyl 1,4,7-triazonane-1,4-dicarboxylate |
| InChI | InChI=1S/C16H31N3O4/c1-15(2,3)22-13(20)18-9-7-17-8-10-19(12-11-18)14(21)23-16(4,5)6/h17H,7-12H2,1-6H3 |
| InChI Key | KVRCCPSVLYCERO-UHFFFAOYSA-N |
| MDL Number | MFCD30532166 |
| Molecular Formula | C16H31N3O4 |
| Molecular Weight | 329.4350 |
| SMILES | CC(OC(N1CCN(C(OC(C)(C)C)=O)CCNCC1)=O)(C)C |
| Synonyms | 174138-01-3,
DiBoc TACN,
DiBoc-TACN,
SCHEMBL132585,
MFCD30532166,
FC-2126,
1,4-Bis(tert-butoxycarbonyl)octahydro-1H-1,4,7-triazonine,
CID11034863,
Ditert-butyl 1,4,7-triazonane-1,4-dicarboxylate,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.441g/mol |
| Monoisotopic Mass | 329.231g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number