tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
- CAS NO.：869494-16-6
- Empirical Formula: C10H18N2O2
- Molecular Weight: 198.26
- MDL number: MFCD17016736
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-10-22 15:21:50
![tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate Structural](https://img.chemicalbook.in/CAS/GIF/869494-16-6.gif)
Properties of tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
| Boiling point: | 276℃ |
| Density | 1.104 |
| Flash point: | 121℃ |
| storage temp. | 2-8°C(protect from light) |
| pka | 9.53±0.20(Predicted) |
| color | White to off-white |
| InChI | InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-7-4-8(12)6-11-5-7/h7-8,11H,4-6H2,1-3H3 |
Safety information for tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
| InChIKey | OUFBVDKNEWUFHP-UHFFFAOYSA-N |
| SMILES | C12CC(N1C(OC(C)(C)C)=O)CNC2 |
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