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| IUPAC Name: | tert-butyl N-(4-aminobutyl)carbamate |
| Description: | N-Boc-1,4-butanediamine (CAS# 68076-36-8) is used in the synthesis of iron chelators expressing antitumor activity. Also used in the synthesis of iron oxide nanoparticles which are used in cellular and small animal imaging. |
| Molecular Weight: | 188.27 |
| Molecular Formula: | C9H20N2O2 |
| Canonical SMILES: | CC(C)(C)OC(=O)NCCCCN |
| InChI: | InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12) |
| InChI Key: | ZFQWJXFJJZUVPI-UHFFFAOYSA-N |
| Boiling Point: | 292.9 °C at 760 mmHg |
| Purity: | > 98.0 % (GC) (T) |
| Density: | 0.974 g/cm0.974 g/cm3 |
| Solubility: | In H2O: 100 mg/mL (531.15 mM; Need ultrasonic) In DMSO: 100 mg/mL (531.15 mM; Need ultrasonic) |
| Storage: | 4°C, protect from light, stored under nitrogen; In solvent, -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen) |
| MDL: | MFCD00210019 |
| LogP: | 2.34120 |
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