1-(2-Methoxyphenyl)piperazine hydrochloride - CAS 5464-78-8
Catalog: |
BB028748 |
Product Name: |
1-(2-Methoxyphenyl)piperazine hydrochloride |
CAS: |
5464-78-8 |
Synonyms: |
N-(2-Methoxyphenyl)piperazine hydrochloride; Piperazine, 1-(2-methoxyphenyl)-, monohydrochloride |
Related CAS: | 35386-24-4 (free base) 38869-49-7 (dihydrochloride)
|
IUPAC Name: | 1-(2-methoxyphenyl)piperazine;hydrochloride |
Description: | An impurity of Urapidil. Urapidil is an α1-adrenoceptor antagonist and an 5-HT1A receptor agonist that is used as an antihypertensive agent. |
Molecular Weight: | 228.72 |
Molecular Formula: | C11H17ClN2O |
Canonical SMILES: | COC1=CC=CC=C1N2CCNCC2.Cl |
InChI: | InChI=1S/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H |
InChI Key: | DDMVHGULHRJOEC-UHFFFAOYSA-N |
Boiling Point: | 379.9 °C at 760 mmHg |
Density: | 1.057 g/cm3 |
Solubility: | Soluble in DMSO and Methanol |
Appearance: | White to Off-White Solid |
MDL: | MFCD00012762 |
LogP: | 2.30060 |
GHS Hazard Statement: | H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021050980-A1 | Druggable target to treat retinal degeneration | 20190913 |
CN-109516960-B | Preparation method of urapidil hydrochloride | 20181226 |
WO-2020020097-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
TW-202016116-A | Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
CN-112469722-A | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
PMID | Publication Date | Title | Journal |
22235758 | 20120101 | Anti-biofilm activity of Salvadora persica on cariogenic isolates of Streptococcus mutans: in vitro and molecular docking studies | Biofouling |
21821420 | 20110901 | Synthesis and in vivo evaluation of [O-methyl-11C] N-[3,5-dichloro-2-(methoxy)phenyl]-4-(methoxy)-3-(1-piperazinyl)benzenesulfonamide as an imaging probe for 5-HT6 receptors | Bioorganic & medicinal chemistry |
19734910 | 20091001 | Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum | Nature chemical biology |
17869179 | 20080701 | Underestimation of toluene diisocyanate concentration using long-term sampling with 1-(2-methoxyphenyl) piperazine impregnated filters | International journal of hygiene and environmental health |
17710644 | 20070901 | Omptin proteins: an expanding family of outer membrane proteases in Gram-negative Enterobacteriaceae | Molecular membrane biology |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.1029409 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.1029409 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 24.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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