{"id":3302,"count":2,"description":"

2-Methyl-AP-237 HCl (CAS 98608-59-4) \u2014 High-Purity Research Chemic<\/h1>\r\n

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Chemical & Physical Properties<\/span><\/h2>\r\n
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Property<\/span><\/div>\r\n<\/div>\r\n
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Details<\/span><\/div>\r\n<\/div>\r\n
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Chemical Name (IUPAC, free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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1-[2-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one<\/span><\/div>\r\n<\/div>\r\n
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Alternative IUPAC Name<\/strong><\/span><\/div>\r\n<\/div>\r\n
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1-[2-methyl-4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]-1-butanone<\/span><\/div>\r\n<\/div>\r\n
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Common Name(s)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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2-Methyl-AP-237; 2-MAP; 2-methyl bucinnazine; 1-(4-cinnamyl-2-methylpiperazin-1-yl)butan-1-one<\/span><\/div>\r\n<\/div>\r\n
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CAS Number (HCl salt)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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98608-59-4<\/span><\/div>\r\n<\/div>\r\n
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CAS Number (free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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98608-61-8<\/span><\/div>\r\n<\/div>\r\n
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PubChem CID (free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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6447699<\/span><\/div>\r\n<\/div>\r\n
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Molecular Formula (free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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C18H26N2O<\/span><\/div>\r\n<\/div>\r\n
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Molecular Formula (HCl salt)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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C18H26N2O \u00b7 HCl<\/span><\/div>\r\n<\/div>\r\n
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Molecular Weight (free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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286.4 g\/mol<\/span><\/div>\r\n<\/div>\r\n
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Molecular Weight (HCl salt)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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322.9 g\/mol<\/span><\/div>\r\n<\/div>\r\n
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Appearance<\/strong><\/span><\/div>\r\n<\/div>\r\n
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White to off-white crystalline solid<\/span><\/div>\r\n<\/div>\r\n
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Purity<\/strong><\/span><\/div>\r\n<\/div>\r\n
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\u2265 98% (determined by HPLC)<\/span><\/div>\r\n<\/div>\r\n
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Solubility<\/strong><\/span><\/div>\r\n<\/div>\r\n
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DMSO: 15 mg\/mL; Ethanol: 30 mg\/mL; DMF: 10 mg\/mL; PBS (pH 7.2): 10 mg\/mL<\/span><\/div>\r\n<\/div>\r\n
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LogP (XLogP3, free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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2.9<\/span><\/div>\r\n<\/div>\r\n
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Topological Polar Surface Area<\/strong><\/span><\/div>\r\n<\/div>\r\n
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23.6 \u00c5\u00b2<\/span><\/div>\r\n<\/div>\r\n
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Hydrogen Bond Donors (free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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0<\/span><\/div>\r\n<\/div>\r\n
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Hydrogen Bond Acceptors (free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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2<\/span><\/div>\r\n<\/div>\r\n
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Rotatable Bonds<\/strong><\/span><\/div>\r\n<\/div>\r\n
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5<\/span><\/div>\r\n<\/div>\r\n
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SMILES (free base)<\/strong><\/span><\/div>\r\n<\/div>\r\n
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CCCC(=O)N1CCN(CC=CC2=CC=CC=C2)CC1C<\/span><\/div>\r\n<\/div>\r\n
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InChIKey<\/strong><\/span><\/div>\r\n<\/div>\r\n
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CRSFXYZFNAFVFC-YRNVUSSQSA-N<\/span><\/div>\r\n<\/div>\r\n
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Stereochemistry<\/strong><\/span><\/div>\r\n<\/div>\r\n
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Racemic mixture (chiral center at C2 of piperazine ring)<\/span><\/div>\r\n<\/div>\r\n
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Storage Conditions<\/strong><\/span><\/div>\r\n<\/div>\r\n
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Store at \u221220\u00b0C, protected from light and moisture<\/span><\/div>\r\n<\/div>\r\n
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Shelf Life<\/strong><\/span><\/div>\r\n<\/div>\r\n
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24 months from manufacture date when stored as directed<\/span><\/div>\r\n<\/div>\r\n
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