2,6-Dimethylpiperazine - CAS 108-49-6
Catalog: |
BB002277 |
Product Name: |
2,6-Dimethylpiperazine |
CAS: |
108-49-6 |
Synonyms: |
2,6-dimethylpiperazine |
IUPAC Name: | 2,6-dimethylpiperazine |
Description: | 2,6-Dimethylpiperazine (CAS# 108-49-6) is used in the synthesis of piperazine derivatives for various pharmaceutical application. Also used in the preparation of anticancer agents. |
Molecular Weight: | 114.19 |
Molecular Formula: | C6H14N2 |
Canonical SMILES: | CC1CNCC(N1)C |
InChI: | InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3 |
InChI Key: | IFNWESYYDINUHV-UHFFFAOYSA-N |
Boiling Point: | 162 °C |
Melting Point: | 108-111 °C |
Purity: | 98 % |
Density: | 0.824 g/cm3 |
Appearance: | Liquid |
Storage: | Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area. |
MDL: | MFCD07772435 |
LogP: | 0.61380 |
GHS Hazard Statement: | H228 (100%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22517608 | 20120618 | An ATR-FTIR study on the effect of molecular structural variations on the CO2 absorption characteristics of heterocyclic amines, part II | Chemphyschem : a European journal of chemical physics and physical chemistry |
21384417 | 20110301 | 5-Nitroimidazole-based 1,3,4-thiadiazoles: heterocyclic analogs of metronidazole as anti-Helicobacter pylori agents | Archiv der Pharmazie |
19042103 | 20090115 | Structure elucidation of thioketone analogues of sildenafil detected as adulterants in herbal aphrodisiacs | Journal of pharmaceutical and biomedical analysis |
18811147 | 20081020 | Multimetallic assemblies using piperazine-based dithiocarbamate building blocks | Inorganic chemistry |
17207601 | 20070411 | Structure elucidation of a novel analogue of sildenafil detected as an adulterant in an herbal dietary supplement | Journal of pharmaceutical and biomedical analysis |
Complexity: | 64.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.115698455 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 24.1 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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