1-Boc-4-(6-Nitro-3-pyridyl)piperazine - CAS 571189-16-7
Catalog: |
BB029588 |
Product Name: |
1-Boc-4-(6-Nitro-3-pyridyl)piperazine |
CAS: |
571189-16-7 |
Synonyms: |
4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate |
Description: | 1-Boc-4-(6-Nitro-3-pyridyl)piperazine (CAS# 571189-16-7) is used in preparation of Heterocyclic compound as cdk-hdac double-channel inhibitor. |
Molecular Weight: | 308.33 |
Molecular Formula: | C14H20N4O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3 |
InChI Key: | SUWKOEMQNOBJEQ-UHFFFAOYSA-N |
Boiling Point: | 480.1 °C at 760 mmHg |
Density: | 1.258 g/cm3 |
LogP: | 2.57300 |
GHS Hazard Statement: | H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248500-A | Azaindolopyrimidineamine heterocyclic compounds, and preparation method and application thereof | 20210610 |
CN-113248500-B | Azaindolopyrimidineamine heterocyclic compounds, and preparation method and application thereof | 20210610 |
CN-113429340-A | Method for preparing 4- (6-aminopyridine-3-yl) piperazine-1-carboxylic acid tert-butyl ester | 20210526 |
CN-113264920-A | CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof | 20210510 |
CN-113149978-A | Intermediate compound, preparation method and application thereof | 20210204 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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