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| CAS No.: | 132234-69-6 |
|---|---|
| Name: | endo-3-Boc-aminotropane |
| Article Data: | 1 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C12H22N2O2 |
| Molecular Weight: | 226.319 |
| Synonyms: | Carbamicacid, 8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester, endo-;(3-endo)-8-Azabicyclo[3.2.1]oct-3-ylcarbamic acid tert-butyl ester; |
| Density: | 1.07 g/cm3 |
| Boiling Point: | 339.8 °C at 760 mmHg |
| Flash Point: | 159.3 °C |
| PSA: | 50.36000 |
| LogP: | 2.51380 |
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Specification
The cas register number of endo-3-Boc-aminotropane is 132234-69-6. It also can be called as (3-endo)-8-Azabicyclo[3.2.1]oct-3-ylcarbamic acid tert-butyl ester and Carbamicacid, 8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester, endo- .
Physical properties about endo-3-Boc-aminotropane are: (1)ACD/LogP: 1.74; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 50.36Å2; (6)Index of Refraction: 1.507; (7)Molar Refractivity: 62.62 cm3; (8)Molar Volume: 210.3 cm3; (9)Polarizability: 24.82x10-24cm3; (10)Surface Tension: 38.4 dyne/cm; (11)Enthalpy of Vaporization: 58.33 kJ/mol; (12)Boiling Point: 339.8 °C at 760 mmHg; (13)Vapour Pressure: 8.95E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC1CC2CCC(C1)N2
(2)InChI: InChI=1/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
(3)InChIKey: UUHPKKKRSZBQIG-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
(5)Std. InChIKey: UUHPKKKRSZBQIG-UHFFFAOYSA-N