Ethyl 1-piperazinecarboxylate - CAS 120-43-4
Catalog: |
BB004870 |
Product Name: |
Ethyl 1-piperazinecarboxylate |
CAS: |
120-43-4 |
Synonyms: |
ethyl piperazine-1-carboxylate |
IUPAC Name: | ethyl piperazine-1-carboxylate |
Description: | Ethyl 1-piperazinecarboxylate (CAS# 120-43-4) is an intermediate used in the synthesis of 5-(1-adamantyl)-2-substituted thio-1,3,4-oxadiazoles and 5-(1-adamantyl)-3-substituted aminomethyl-1,3,4-oxadiazoline-2-thiones with anti-HIV-1 activities. It is also used to prepare (piperazinyl)butoxydihydroquinolinones as antipsychotics with dopamine autoreceptor agonist activity. |
Molecular Weight: | 158.20 |
Molecular Formula: | C7H14N2O2 |
Canonical SMILES: | CCOC(=O)N1CCNCC1 |
InChI: | InChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3 |
InChI Key: | LNOQURRKNJKKBU-UHFFFAOYSA-N |
Boiling Point: | 273 °C |
Purity: | 98 % |
Density: | 1.08 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00005964 |
LogP: | 0.31480 |
GHS Hazard Statement: | H302 (86.54%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22347127 | 20120201 | Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth-yl}piperazine-1-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
19253419 | 20090601 | Acaricidal properties of piperazine and its derivatives against house-dust and stored-food mites | Pest management science |
16821795 | 20060713 | Antitumor activity of JS-K [O2-(2,4-dinitrophenyl) 1-[(4-ethoxycarbonyl)piperazin-1-yl]diazen-1-ium-1,2-diolate] and related O2-aryl diazeniumdiolates in vitro and in vivo | Journal of medicinal chemistry |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.105527694 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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