Basic information
- Name:
Carbamic acid,(3-endo)-8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester (9CI)
- Superlist Name:
- endo-3-Boc-aminotropane
- CAS No.:
132234-69-6
- Molecular Structure:
![Molecular Structure of 132234-69-6 (Carbamic acid,(3-endo)-8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester (9CI))](http://www.lookchem.com/300w/2010/0618/132234-69-6.jpg)
- Formula:
- C12H22N2O2
- Molecular Weight:
- 226.32
- 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
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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