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| IUPAC Name: | 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-methylbenzenesulfonate |
| Description: | N-Boc-2-aminoethyl 4-Methylbenzenesulfonate (CAS# 158690-56-3) is an intermediate in the synthesis of Cysteamine-d4 Hydrochloride (C992002), is the labelled form of Cysteamine Hydrochloride used as an antioxidant and in radiation therapy. |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C14H21NO5S |
| Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)OC(C)(C)C |
| InChI: | InChI=1S/C14H21NO5S/c1-11-5-7-12(8-6-11)21(17,18)19-10-9-15-13(16)20-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16) |
| InChI Key: | OWNIGLWHXOENAA-UHFFFAOYSA-N |
| Boiling Point: | 461.949 °C at 760 mmHg |
| Density: | 1.189 g/cm3 |
| MDL: | MFCD07776965 |
| LogP: | 3.69670 |
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