1-Acetylpiperazine - CAS 13889-98-0
Catalog: |
BB008864 |
Product Name: |
1-Acetylpiperazine |
CAS: |
13889-98-0 |
Synonyms: |
1-piperazin-1-ylethanone |
IUPAC Name: | 1-piperazin-1-ylethanone |
Description: | 1-Acetylpiperazine was used to study the physical stabilization or chemical degradation of concentrated solutions of polyaniline emeraldine base containing secondary amine additives. It was also used to study the structure-property relationships of surfaces that resist protein adsorption. |
Molecular Weight: | 128.17 |
Molecular Formula: | C6H12N2O |
Canonical SMILES: | CC(=O)N1CCNCC1 |
InChI: | InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3 |
InChI Key: | PKDPUENCROCRCH-UHFFFAOYSA-N |
Boiling Point: | 257.9 °C at 760 mmHg |
Melting Point: | 31-34 °C |
Purity: | 98 % |
Density: | 1.027 g/cm3 |
Appearance: | Clear light yellow liquid after melting |
Storage: | 2-8 °C |
MDL: | MFCD00058676 |
LogP: | -0.29520 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
24594353 | 20140401 | Design and synthesis of novel 2H-chromen-2-one derivatives bearing 1,2,3-triazole moiety as lead antimicrobials | Bioorganic & medicinal chemistry letters |
18720282 | 20080901 | Strategies to prevent N-acetyltransferase-mediated metabolism in a series of piperazine-containing pyrazalopyrimidine compounds | Xenobiotica; the fate of foreign compounds in biological systems |
18239303 | 20080201 | Process development and large-scale synthesis of NK1 antagonist | Chemical & pharmaceutical bulletin |
15993086 | 20051015 | Design, synthesis, and evaluation of novel 2-substituted-4-aryl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,5]oxazocin-5-ones as NK1 antagonists | Bioorganic & medicinal chemistry |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.094963011 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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