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| CAS No.: | 6425-41-8 |
|---|---|
| Name: | 4-cyclohexylmorpholine |
| Molecular Structure: | |
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| Formula: | C10H19NO |
| Molecular Weight: | 169.267 |
| Synonyms: | 4-Cyclohexylmorpholine;Cyclohexylmorpholine;N-Cyclohexylmorpholine;NSC 151054; |
| EINECS: | 229-195-2 |
| Density: | 1.003 g/cm3 |
| Boiling Point: | 239.6 °C at 760 mmHg |
| Flash Point: | 69.6 °C |
| PSA: | 12.47000 |
| LogP: | 1.58920 |
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Specification
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.
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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:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LCLo | inhalation | 2ppm/1H (2ppm) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 195, 1969. |
| rat | LD50 | oral | 178mg/kg (178mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 195, 1969. |