| CAS Number | 634468-87-4 |
| Catalog Number | AG00IB7V(AGN-PC-0T8I0Z) |
| Chemical Name | 4-(4-BOC-Piperazino)pyrimidine HCl |
| IUPAC Name | tert-butyl 4-pyrimidin-4-ylpiperazine-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C13H20N4O2.ClH/c1-13(2,3)19-12(18)17-8-6-16(7-9-17)11-4-5-14-10-15-11;/h4-5,10H,6-9H2,1-3H3;1H |
| InChI Key | NDRUXAAEJIXVPK-UHFFFAOYSA-N |
| MDL Number | MFCD26131138 |
| Molecular Formula | C13H21ClN4O2 |
| Molecular Weight | 300.7844 |
| SMILES | O=C(N1CCN(CC1)c1ccncn1)OC(C)(C)C.Cl |
| Synonyms | 4-(4-BOC-PIPERAZINO)PYRIMIDINE HCL,
634468-87-4,
tert-Butyl 4-(pyrimidin-4-yl)piperazine-1-carboxylate hydrochloride,
C13H20N4O2.ClH,
KM3547,
AKOS026671124,
Y2629,
1-Piperazinecarboxylic acid, 4-(4-pyrimidinyl)-, 1,1-dimethylethyl ester,monohydrochloride,
4-(4-BOC-Piperazino)pyrimidine hydrochloride,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.787g/mol |
| Monoisotopic Mass | 300.135g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number