| CAS Number | 1104383-06-3 |
| Catalog Number | AG01ABGL |
| Chemical Name | Tert-Butyl 2,2-Dimethyl-3-Oxopiperazine-1-Carboxylate |
| IUPAC Name | tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate |
| InChI | InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-7-6-12-8(14)11(13,4)5/h6-7H2,1-5H3,(H,12,14) |
| InChI Key | ADXBXIQTAQOYRW-UHFFFAOYSA-N |
| MDL Number | MFCD18845275 |
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.2881 |
| SMILES | O=C(N1C(C)(C)C(NCC1)=O)OC(C)(C)C |
| Synonyms | tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate,
1104383-06-3,
4-Boc-3,3-dimethyl-2-piperazinone,
SCHEMBL1632144,
ADXBXIQTAQOYRW-UHFFFAOYSA-N,
MFCD18845275,
ZINC82169939,
AKOS012917515,
NE36848,
AS-44625,
DA-47871,
SY058528,
BB 0257634,
FT-0723279,
MFCD18845275 (95%),
t-Butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.292g/mol |
| Monoisotopic Mass | 228.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number