| CAS Number | 608142-93-4 |
| Catalog Number | AG01DTMG(AGN-PC-0SXTYS) |
| Chemical Name | Tert-butyl 4-(3-nitropyridin-4-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-nitropyridin-4-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-15-10-12(11)18(20)21/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | BZCZLYVPOXHWMT-UHFFFAOYSA-N |
| MDL Number | MFCD18207662 |
| Molecular Formula | C14H20N4O4 |
| Molecular Weight | 308.3330 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C1=C(C=NC=C1)[N+]([O-])=O |
| Synonyms | 608142-93-4,
tert-butyl 4-(3-nitropyridin-4-yl)piperazine-1-carboxylate,
tert-butyl 4-(3-nitro-4-pyridinyl)-1-piperazinecarboxylate,
SCHEMBL2849150,
BZCZLYVPOXHWMT-UHFFFAOYSA-N,
MFCD18207662,
AKOS011779120,
AS-48756,
CS-0059667,
t-Butyl 4-(3-nitropyridin-4-yl)piperazine-1-carboxylate,
4-(3-nitro-pyridin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester,
1-Piperazinecarboxylic acid, 4-(3-nitro-4-pyridinyl)-, 1,1-dimethylethylester,
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| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.338g/mol |
| Monoisotopic Mass | 308.148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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