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CAS 5261-65-4 chemical formula,CAS 5261-65-4 MSDS,CAS 5261-65-4 chemical properties

CAS Number 5261-65-4
chem name 1-Azabicyclo[2.2.2]octane,2-methyl
formula C8H15N
structure
synonyms Quinuclidine,2-methyl- (7CI,8CI);2-Methylquinuclidine;
properties

CAS Number 5261-65-4 properties (MSDS)

Specification

The 1-Azabicyclo[2.2.2]octane,2-methyl-, with the CAS registry number 5261-65-4, is also known as Quinuclidine, 2-methyl-. This chemical's molecular formula is C8H15N and molecular weight is 125.2114. What's more, both its IUPAC name and systematic name are the same which is called 2-Methyl-1-azabicyclo[2.2.2]octane.

Physical properties about 1-Azabicyclo[2.2.2]octane,2-methyl- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.09; (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: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 38.83 cm3; (15)Molar Volume: 131.1 cm3; (16)Surface Tension: 32.7 dyne/cm; (17)Density: 0.95 g/cm3; (18)Flash Point: 41.9 °C; (19)Enthalpy of Vaporization: 39.49 kJ/mol; (20)Boiling Point: 158.2 °C at 760 mmHg; (21)Vapour Pressure: 2.65 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N12C(C)CC(CC1)CC2
(2) InChI: InChI=1/C8H15N/c1-7-6-8-2-4-9(7)5-3-8/h7-8H,2-6H2,1H3
(3) InChIKey: VDWODSPSMJMZQI-UHFFFAOYAB