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51097-78-0

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Basic Information
CAS No.: 51097-78-0
Name: Bis(4-aminocyclohexyl) ether
Molecular Structure:
Molecular Structure of 51097-78-0 (Bis(4-aminocyclohexyl) ether)
Formula: C12H24N2O
Molecular Weight: 212.33
Synonyms: 4,4'-Oxydicyclohexanamine;cyclohexanamine, 4,4'-oxybis-;
Density: 1.03g/cm3
Boiling Point: 319.4 °C at 760 mmHg
Flash Point: 146.6 °C
PSA: 61.27000
LogP: 2.94340
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Specification

 

The Bis(4-aminocyclohexyl) ether with cas registry number of 51097-78-0, has the systematic name of 4,4'-oxydicyclohexanamine. And it is also named cyclohexanamine, 4,4'-oxybis-.

Physical properties about this chemical are: (1)ACD/LogP: 0.73; (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: 3; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 61.27 Å2; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 62.42 cm3; (13)Molar Volume: 205.5 cm3; (14)Polarizability: 24.74×10-24cm3; (15)Surface Tension: 42 dyne/cm; (16)Enthalpy of Vaporization: 56.1 kJ/mol; (17)Vapour Pressure: 0.00034 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC1CCC(CC1)OC2CCC(N)CC2;
(2)InChI: InChI=1/C12H24N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2;
(3)InChIKey: SZEWALYSKVMFAD-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C12H24N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12H,1-8,13-14H2;
(5)Std. InChIKey: SZEWALYSKVMFAD-UHFFFAOYSA-N