Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane],hydrochloride (1:1) (64168-68-9)

The systematic name of Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane] hydrochloride is Spiro[4-azabicyclo[2.2.2]octane-2,2'-oxirane] hydrochloride (1:1). With the CAS registry number 64168-68-9, it is also named as Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane] HCl. In addition, In addition, its molecular formula is C₈H₁₄ClNO and its molecular weight is 175.66. 

The other characteristics of Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane] hydrochloride can be summarized as: (1)ACD/LogP: 0.83; (2)of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 2; (8)H bond donors: 0; (9)Freely Rotating Bonds: 0; (10)Polar Surface Area: 15.77 Å²; (11)Flash Point: 105.4 °C; (12)Enthalpy of Vaporization: 49.78 kJ/mol; (13)Boiling Point: 250.7 °C at 760 mmHg; (14)Vapour Pressure: 0.017 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.C1CN2CCC1C3(C2)CO3
(2)InChI:InChI=1/C8H13NO.ClH/c1-3-9-4-2-7(1)8(5-9)6-10-8;/h7H,1-6H2;1H
(3)InChIKey:GCLCYDKLKBIAOF-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C8H13NO.ClH/c1-3-9-4-2-7(1)8(5-9)6-10-8;/h7H,1-6H2;1H
(5)Std. InChIKey:GCLCYDKLKBIAOF-UHFFFAOYSA-N