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Cas Database |
| Name |
tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate |
EINECS | N/A |
| CAS No. | 930785-40-3 | Density | 1.113g/cm3 |
| PSA | 50.80000 | LogP | 1.64260 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H24N2O3 | Boiling Point | 364.211 °C at 760 mmHg |
| Molecular Weight | 256.345 | Flash Point | 174.069 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester; |
Article Data | 8 |
tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate Specification
The tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate with cas registry number of 930785-40-3, is also called 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester .
Physical properties of tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate : (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 5.475; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 50.8 Å2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 69.3 cm3; (13)Molar Volume: 230.247 cm3; (14)Polarizability: 27.473×10-24cm3; (15)Surface Tension: 41.59 dyne/cm; (16)Enthalpy of Vaporization: 61.036 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C .
You can still convert the following datas into molecular structure: (1)SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)CNCCO2; (2)InChI:InChI=1/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-14-6-9-17-13/h14H,4-10H2,1-3H3; (3)InChIKey:FRROFBJYHIEDPS-UHFFFAOYAM ; (4)Std. InChI:InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-14-6-9-17-13/h14H,4-10H2,1-3H3; (5)Std. InChIKey:FRROFBJYHIEDPS-UHFFFAOYSA-N.
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