| CAS Number | 1616684-41-3 |
| Catalog Number | AG01AV48 |
| Chemical Name | tert-butyl N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamate |
| IUPAC Name | tert-butyl N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamate |
| InChI | InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)14-6-5-11(17)16-9-7-15(4)8-10-16/h5-10H2,1-4H3,(H,14,18) |
| InChI Key | QZRNTLHEJHGMIJ-UHFFFAOYSA-N |
| MDL Number | MFCD27959456 |
| Molecular Formula | C13H25N3O3 |
| Molecular Weight | 271.3559 |
| SMILES | CN1CCN(C(CCNC(OC(C)(C)C)=O)=O)CC1 |
| Synonyms | tert-butyl N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]carbamate,
1616684-41-3,
ZINC61468737,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.361g/mol |
| Monoisotopic Mass | 271.19g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number