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| CAS No.: | 26458-74-2 |
|---|---|
| Name: | 1-Azabicyclo[2.2.2]octan-4-ol |
| Molecular Structure: | |
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| Formula: | C7H13NO |
| Molecular Weight: | 127.186 |
| Synonyms: | 4-Quinuclidinol(6CI,8CI);4-Hydroxyquinuclidine;quinuclidin-4-ol; |
| Density: | 1.14 g/cm3 |
| Boiling Point: | 226.5 °C at 760 mmHg |
| Flash Point: | 115.5 °C |
| PSA: | 23.47000 |
| LogP: | 0.15490 |
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Specification
The 1-Azabicyclo[2.2.2]octan-4-ol, with the CAS registry number 26458-74-2, is also called quinuclidin-4-ol. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of the chemical is C7H13NO, and its molecular weight is 127.1842.
The characteristics of 1-Azabicyclo[2.2.2]octan-4-ol are as followings: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.28; (4)ACD/LogD (pH 7.4): -1.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 35.79 cm3; (15)Molar Volume: 111.4 cm3; (16)Polarizability: 14.18×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 115.5 °C; (20)Enthalpy of Vaporization: 53.84 kJ/mol; (21)Boiling Point: 226.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0161 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC12CCN(CC1)CC2
(2)InChI: InChI=1/C7H13NO/c9-7-1-4-8(5-2-7)6-3-7/h9H,1-6H2
(3)InChIKey: RQRSQXFVRUWISR-UHFFFAOYAM