| Identification | |
| Name: | 1-Azatricyclo[3.3.1.13,7]decan-4-one |
| Synonyms: | 1-Aza-4-oxoadamantane;1-Azaadamantan-4-one;5-Azaadamantan-2-one; |
| CAS: | 42949-24-6 |
| Molecular Formula: | C9H13NO |
| Molecular Weight: | 151.21 |
| InChI: | InChI=1/C9H13NO/c11-9-7-1-6-2-8(9)5-10(3-6)4-7/h6-8H,1-5H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.19 |
| Refractive index: | 1.569 |
| Specification: |
The systematic name of 5-Azaadamantan-2-one is 1-Azatricyclo[3.3.1.13,7]decan-4-one. With the CAS registry number 42949-24-6, it is also named as 1-Aza-4-oxoadamantane. In addition, its molecular formula is C9H13NO and its molecular weight is 151.21. The other characteristics of 5-Azaadamantan-2-one can be summarized as: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.844; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.792; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 34.314; (8)H bond acceptors: 2; (9)H bond donors: 0; (10)Freely Rotating Bonds: 0; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 41.518 cm3; (14)Molar Volume: 126.718 cm3; (15)Polarizability: 16.459×10-24cm3; (16)Surface Tension: 44.517 dyne/cm; (17)Density: 1.193 g/cm3; (18)Flash Point: 106.22 °C; (19)Enthalpy of Vaporization: 50.248 kJ/mol; (20)Boiling Point: 264.591 °C at 760 mmHg; (21)Vapour Pressure: 0.01 mmHg at 25 °C. People can use the following data to convert to the molecule structure. |
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