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| IUPAC Name: | tert-butyl 1,4-diazepane-1-carboxylate |
| Description: | 1-Boc-hexahydro-1,4-diazepine (CAS# 112275-50-0) is a diazepine derivative used in the preparation of pharmaceutical compounds such as histamine H3-receptor antagonists and dipeptidyl peptidase IV (DPP-IV) inhibitors. |
| Molecular Weight: | 200.28 |
| Molecular Formula: | C10H20N2O2 |
| Canonical SMILES: | CC(C)(C)OC(=O)N1CCCNCC1 |
| InChI: | InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3 |
| InChI Key: | WDPWEXWMQDRXAL-UHFFFAOYSA-N |
| Boiling Point: | 92-96 °C (0.5 mmHg) |
| Purity: | 98 % |
| Density: | 1.029 g/cm3 |
| Storage: | Keep Cold |
| MDL: | MFCD00276987 |
| LogP: | 1.48350 |
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