| CAS Number | 174138-04-6 |
| Catalog Number | AG01AP2U |
| Chemical Name | tert-Butyl 1,4,7-triazonane-1-carboxylate |
| IUPAC Name | tert-butyl 1,4,7-triazonane-1-carboxylate |
| InChI | InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14-8-6-12-4-5-13-7-9-14/h12-13H,4-9H2,1-3H3 |
| InChI Key | JUXSGTOWKOLPFV-UHFFFAOYSA-N |
| MDL Number | MFCD24473334 |
| Molecular Formula | C11H23N3O2 |
| Molecular Weight | 229.3192 |
| SMILES | CC(OC(N1CCNCCNCC1)=O)(C)C |
| Synonyms | Tert-butyl 1,4,7-triazonane-1-carboxylate,
174138-04-6,
SCHEMBL14653343,
ZINC141935011,
CID10966288,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.324g/mol |
| Monoisotopic Mass | 229.179g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number