(+/-)-1,4-Diazabicyclo[4.4.0]decane - CAS 4430-75-5
Catalog: |
BB062784 |
Product Name: |
(+/-)-1,4-Diazabicyclo[4.4.0]decane |
CAS: |
4430-75-5 |
Synonyms: |
octahydro-1h-pyrido[1,2-a]pyrazine; Octahydro-2H-pyrido[1,2-a]pyrazine; Octahydro-pyrido[1,2-a]pyrazine; 1,4-diazabicyclo[4.4.0]decane; (+/-)-1,4-Diazabicyclo[4.4.0]decane; 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine; Octahydropyrido[1,2-a]pyrazine |
IUPAC Name: | 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine |
Description: | (+/-)-1,4-Diazabicyclo[4.4.0]decane |
Molecular Weight: | 140.23 |
Molecular Formula: | C8H16N2 |
Canonical SMILES: | C1CCN2CCNCC2C1 |
InChI: | InChI=1S/C8H16N2/c1-2-5-10-6-4-9-7-8(10)3-1/h8-9H,1-7H2 |
InChI Key: | ONHPOXROAPYCGT-UHFFFAOYSA-N |
Solubility: | Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C, Inert atmosphere |
GHS Hazard Statement: | H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
17149859 | 20061214 | Synthesis and pharmacological evaluation of novel octahydro-1H-pyrido[1,2-a]pyrazine as mu-opioid receptor antagonists | Journal of medicinal chemistry |
15566292 | 20041202 | Novel bicyclic piperazine derivatives of triazolotriazine and triazolopyrimidines as highly potent and selective adenosine A2A receptor antagonists | Journal of medicinal chemistry |
12825922 | 20030703 | Higher-end serotonin receptors: 5-HT(5), 5-HT(6), and 5-HT(7) | Journal of medicinal chemistry |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.131348519 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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