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| IUPAC Name: | acetic acid[4-(2-methylpropoxy)phenyl]methanamine |
| Description: | 4-Isobutoxybenzylamine Acetate is an intermediate in the synthesis of 1,3-Bis(4-isobutoxybenzyl)urea (B448763), an impurity in the preparation of Pimavanserin (P441800), a drug used in the treatment of Parkinson's disease and psychosis. |
| Molecular Weight: | 179.26 + 60.05 |
| Molecular Formula: | C11H17NO·C2H4O2 |
| Canonical SMILES: | CC(C)COC1=CC=C(C=C1)CN.CC(=O)O |
| InChI: | InChI=1S/C11H17NO.C2H4O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-111-2(3)4/h3-6,9H,7-8,12H2,1-2H31H3,(H,3,4) |
| InChI Key: | VPEGFBXWSGBVDN-UHFFFAOYSA-N |
| Solubility: | DMSO; Methanol |
| Appearance: | White Crystals |
| References: | Snigdha, S., et al. J. Pharmacol. Exper. Ther., 332, 622 (2010), Meltzer, H., et al. Neuropsychopharmacol., 35, 881 (2010),. |
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