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| CAS No.: | 130906-06-8 |
|---|---|
| Name: | 1-Oxa-6-azaspiro[3,4]octane |
| Molecular Structure: | |
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| Formula: | C6H11NO |
| Molecular Weight: | 113.16 |
| Synonyms: | 3-Oxa-7-azaspiro[3.4]octane; |
| Density: | 1.08 g/cm3 |
| Boiling Point: | 186.424 °C at 760 mmHg |
| Flash Point: | 62.628 °C |
| PSA: | 21.26000 |
| LogP: | 0.46760 |
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Specification
The 1-Oxa-6-azaspiro[3,4]octane, with the CAS registry number 130906-06-8, is also known as 3-Oxa-7-azaspiro[3.4]octane. This chemical's molecular formula is C6H11NO and molecular weight is 113.16. It is an organic compound.
Physical properties of 1-Oxa-6-azaspiro[3,4]octane are: (1)# of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 21.26 Å2; (10)Index of Refraction: 1.506; (11)Molar Refractivity: 31.138 cm3; (12)Molar Volume: 104.745 cm3; (13)Polarizability: 12.344×10-24 cm3; (14)Surface Tension: 35.729 dyne/cm; (15)Density: 1.08 g/cm3; (16)Flash Point: 62.628 °C; (17)Enthalpy of Vaporization: 42.265 kJ/mol; (18)Boiling Point: 186.424 °C at 760 mmHg; (19)Vapour Pressure: 0.663 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CNCC12CCO2
(2)InChI: InChI=1/C6H11NO/c1-3-7-5-6(1)2-4-8-6/h7H,1-5H2
(3)InChIKey: HCYLFYASAYLVBO-UHFFFAOYAH