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| CAS No.: | 217806-26-3 |
|---|---|
| Name: | tert-Butyl (azetidin-3-yl)carbamate hydrochloride |
| Molecular Structure: | |
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| Formula: | C8H16N2O2.HCl |
| Molecular Weight: | 208.688 |
| Synonyms: | tert-Butyl (azetidin-3-yl)carbamate hydrochloride; |
| Density: | 1.06g/cm3 |
| Boiling Point: | 303 °C at 760 mmHg |
| Flash Point: | 137.1 °C |
| Risk Codes: | 52 |
| PSA: | 50.36000 |
| LogP: | 2.00460 |
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Chemistry
Molecular structure of 3-Boc-Aminoazetidine hydrochloride (CAS NO.217806-26-3) is:
Systematic Name: tert-Butyl azetidin-3-ylcarbamate hydrochloride (1:1)
Molecular Formula: C8H16N2O2.HCl
Molecular Weight: 208.69
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 3
Nominal Mass: 208
Average Mass: 208.6858
Monoisotopic Mass: 208.097855
Flash Point: 137.1 °C
Enthalpy of Vaporization: 55.42 kJ/mol
Boiling Point: 303 °C at 760 mmHg
Vapour Pressure: 0.000712 mmHg at 25 °C
SMILES: CC(C)(C)OC(=O)NC1CNC1.Cl
InChI: InChI=1/C8H16N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-9-5-6;/h6,9H,4-5H2,1-3H3,(H,10,11);1H
InChIKey: VLOLOLUAVFGUTD-UHFFFAOYAJ
Std. InChI: InChI=1S/C8H16N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-9-5-6;/h6,9H,4-5H2,1-3H3,(H,10,11);1H
Std. InChIKey: VLOLOLUAVFGUTD-UHFFFAOYSA-N
Specification
3-Boc-Aminoazetidine hydrochloride , its cas register number is 217806-26-3. It also can be called tert-Butyl (azetidin-3-yl)carbamate hydrochloride .