1-Boc-4-(5-nitro-2-pyridyl)piperazine - CAS 193902-78-2
Catalog: |
BB015022 |
Product Name: |
1-Boc-4-(5-nitro-2-pyridyl)piperazine |
CAS: |
193902-78-2 |
Synonyms: |
tert-butyl 4-(5-nitropyridin-2-yl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(5-nitropyridin-2-yl)piperazine-1-carboxylate |
Description: | 1-Boc-4-(5-nitro-2-pyridyl)piperazine (CAS# 193902-78-2) is a useful research chemical. |
Molecular Weight: | 308.33 |
Molecular Formula: | C14H20N4O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)12-5-4-11(10-15-12)18(20)21/h4-5,10H,6-9H2,1-3H3 |
InChI Key: | WWFJYZONBJARJT-UHFFFAOYSA-N |
Boiling Point: | 468.7 °C at 760 mmHg |
Melting Point: | 168-172 °C (lit.) |
Purity: | 95 % |
Density: | 1.258 g/cm3 |
LogP: | 2.57300 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021138434-A1 | Compounds and compositions for treating conditions associated with sting activity | 20191231 |
WO-2020151686-A1 | N-heteroaryl sulfonamide derivative, preparation and use thereof in treatment of autoimmune diseases | 20190122 |
CN-109705033-B | N-heteroaryl sulfonamide derivative, preparation and application | 20190122 |
WO-2020140055-A1 | Cyclin-dependent kinase inhibitors | 20181228 |
WO-2020132561-A1 | Targeted protein degradation | 20181220 |
Complexity: | 410 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.14845513 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.14845513 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 91.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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