| CAS Number | 253175-42-7 |
| Catalog Number | AG00CGVD(AGN-PC-0R145M) |
| Chemical Name | N-(tert-Butyl)piperazine-1-carboxamide |
| IUPAC Name | N-tert-butylpiperazine-1-carboxamide |
| InChI | InChI=1S/C9H19N3O/c1-9(2,3)11-8(13)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13) |
| InChI Key | MFQDOVOQMLPMEW-UHFFFAOYSA-N |
| MDL Number | MFCD01662156 |
| Molecular Formula | C9H19N3O |
| Molecular Weight | 185.2667 |
| SMILES | CC(NC(N1CCNCC1)=O)(C)C |
| Synonyms | 253175-42-7,
N-tert-butylpiperazine-1-carboxamide,
N-(tert-Butyl)piperazine-1-carboxamide,
1-Piperazinecarboxamide,N-(1,1-dimethylethyl)-(9CI),
SCHEMBL6628000,
(s)-piperazine-2-t-butylcarboxamide,
ZINC20253455,
AKOS009216135,
NE49554,
1-Piperazinecarboxamide,N- -,
CID11321368,
1-Piperazinecarboxamide, N-(1,1-dimethylethyl)- (9CI),
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.271g/mol |
| Monoisotopic Mass | 185.153g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number