| CAS Number | 885698-82-8 |
| Catalog Number | AG00IF7M(AGN-PC-0VMKKI) |
| Chemical Name | tert-butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C13H23N3O2/c1-12(2,3)18-11(17)15-6-8-16(9-7-15)13(4,5)10-14/h6-9H2,1-5H3 |
| InChI Key | AJMANAVUYHGZCV-UHFFFAOYSA-N |
| MDL Number | MFCD18334632 |
| Molecular Formula | C13H23N3O2 |
| Molecular Weight | 253.3406 |
| SMILES | CC(OC(N1CCN(C(C#N)(C)C)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate,
885698-82-8,
SCHEMBL190131,
AJMANAVUYHGZCV-UHFFFAOYSA-N,
MFCD18334632,
ZINC62153040,
AKOS012641754,
AS-40583,
4-(cyano-dimethyl-methyl)-piperazine-1-carboxylic acid tert-butyl ester,
1-Piperazinecarboxylic acid, 4-(1-cyano-1-methylethyl)-,1,1-dimethylethyl ester,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.346g/mol |
| Monoisotopic Mass | 253.179g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number