CAS No.26458-74-2,1-Azabicyclo[2.2.2]octan-4-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26458-74-2
Name:	1-Azabicyclo[2.2.2]octan-4-ol

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