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| IUPAC Name: | methyl 3-(2-aminoethyl)benzoatehydrochloride |
| Description: | 3-(2-Aminoethyl)benzoic Acid Methyl Ester (cas# 179003-00-0) is a compound useful in organic synthesis. It could be used for the preparation of isothiocyanates, which are anticancer agents. |
| Molecular Weight: | 179.22 + 36.46 |
| Molecular Formula: | C10H13NO2·HCl |
| Canonical SMILES: | COC(=O)C1=CC=CC(=C1)CCN.Cl |
| InChI: | InChI=1S/C10H13NO2.ClH/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,7H,5-6,11H2,1H31H |
| InChI Key: | BGAZMFTXUBRZLI-UHFFFAOYSA-N |
| Melting Point: | 145 -150°C |
| Solubility: | DMSO (Slightly), Water (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C, Hygroscopic |
| References: | Luo, B., et al. Molecules, 22, 773 (2017). |
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