4-cyclohexylmorpholine

The IUPAC name of 4-Cyclohexylmorpholine is 4-cyclohexylmorpholine. With the CAS registry number 6425-41-8, it is also named as Morpholine, 4-cyclohexyl-, (aerosol). In addition, its molecular formula is C₁₀H₁₉NO and molecular weight is 169.264.

The other characteristics of this product can be summarized as: (1)EINECS: 229-195-2; (2)ACD/LogP: 1.73; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.8; (5)ACD/LogD (pH 7.4): 0.9; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1.78; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 30.53; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 12.47 Å²; (14)Index of Refraction: 1.496; (15)Molar Refractivity: 49.33 cm³; (16)Molar Volume: 168.6 cm³; (17)Polarizability: 19.55×10^-24cm³; (18)Surface Tension: 37 dyne/cm; (19)Density: 1.003 g/cm³; (20)Flash Point: 69.6 °C; (21)Enthalpy of Vaporization: 47.64 kJ/mol; (22)Boiling Point: 239.6 °C at 760 mmHg; (23)Vapour Pressure: 0.0399 mmHg at 25 °C.

Preparation of 4-Cyclohexylmorpholine: this chemical can be prepared by 4-cyclohex-1-enyl-morpholine.



This reaction needs sodium triacetoxyborohydride, AcOH and 1,2-dichloro-ethane at ambient temperature for 10 min. The yield is 99 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: O2CCN(C1CCCCC1)CC2
(2)InChI: InChI=1/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2
(3)InChIKey: BRKHZWFIIVVNTA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H19NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h10H,1-9H2
(5)Std. InChIKey: BRKHZWFIIVVNTA-UHFFFAOYSA-N

The toxicity data is as follows: