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| Name |
Phenol,2,4,6-tris(4-morpholinylmethyl)- |
EINECS | N/A |
| CAS No. | 5464-87-9 | Density | 1.222 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H33N3O4 | Boiling Point | 518.4 °C at 760 mmHg |
| Molecular Weight | 391.511 | Flash Point | 267.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Mesitol, a,a',a''-trimorpholino- (8CI);Mesitol, a2,a4,a6-trimorpholino- (6CI);2,4,6-Tris(morpholinomethyl)phenol;NSC 25574;NSC 28851;NSC 404218;2,4,6-Tris(morpholin-4-ylmethyl)phenol; |
Phenol,2,4,6-tris(4-morpholinylmethyl)- Specification
The Phenol,2,4,6-tris(4-morpholinylmethyl)-, with the CAS registry number 5464-87-9, is also known as 2,4,6-Tris(morpholinomethyl)phenol. This chemical's molecular formula is C21H33N3O4 and molecular weight is 391.50. What's more, its systematic name is 2,4,6-Tris(morpholin-4-ylmethyl)phenol.
Physical properties of Phenol,2,4,6-tris(4-morpholinylmethyl)- are: (1)ACD/LogP: -1.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 46.64 Å2; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 107.73 cm3; (9)Molar Volume: 320.1 cm3; (10)Polarizability: 42.7×10-24 cm3; (11)Surface Tension: 54 dyne/cm; (12)Density: 1.222 g/cm3; (13)Flash Point: 267.3 °C; (14)Enthalpy of Vaporization: 82.07 kJ/mol; (15)Boiling Point: 518.4 °C at 760 mmHg; (16)Vapour Pressure: 2.3E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1CCN(CC1)Cc2cc(c(O)c(c2)CN3CCOCC3)CN4CCOCC4
(2)InChI: InChI=1/C21H33N3O4/c25-21-19(16-23-3-9-27-10-4-23)13-18(15-22-1-7-26-8-2-22)14-20(21)17-24-5-11-28-12-6-24/h13-14,25H,1-12,15-17H2
(3)InChIKey: JGTWRXHFXRFYTN-UHFFFAOYSA-N
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