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Cas Database |
| Name |
tert Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate |
EINECS | N/A |
| CAS No. | 1023595-19-8 | Density | 1.05 g/cm3 |
| PSA | 41.57000 | LogP | 2.65380 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H26N2O2 | Boiling Point | 354.1 °C at 760 mmHg |
| Molecular Weight | 254.373 | Flash Point | 168 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 7-16 | Risk Codes | 11 |
| Molecular Structure |
|
Hazard Symbols | F |
| Synonyms |
TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE;9-Boc-2,9-diazaspiro[5.5]undecane; |
Article Data | 5 |
tert Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate Specification
The cas register number of tert Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate is 1023595-19-8. It also can be called as 2,9-diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester and the systematic name about this chemical is tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate.
Physical properties about tert Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 41.57Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 72.18 cm3; (9)Molar Volume: 240.3 cm3; (10)Surface Tension: 39.9 dyne/cm; (11)Density: 1.05 g/cm3; (12)Flash Point: 168 °C; (13)Enthalpy of Vaporization: 59.91 kJ/mol; (14)Boiling Point: 354.1 °C at 760 mmHg; (15)Vapour Pressure: 3.42E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: CC(C)(C)OC(=O)N1CCC2(CCCNC2)CC1
2.InChI: InChI=1/C14H26N2O2/c1-13(2,3)18-12(17)16-9-6-14(7-10-16)5-4-8-15-11-14/h15H,4-11H2,1-3H3
3.InChIKey: QDWTYWWOUAIWGI-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-6-14(7-10-16)5-4-8-15-11-14/h15H,4-11H2,1-3H3
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