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| CAS No.: | 10282-31-2 |
|---|---|
| Name: | 4-(4-CYANOPHENYL)MORPHOLINE |
| Molecular Structure: | |
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| Formula: | C11H12N2O |
| Molecular Weight: | 188.229 |
| Synonyms: | Benzonitrile,p-morpholino- (7CI,8CI);4-(4-Cyanophenyl)morpholine;4-(Morpholin-4-yl)benzonitrile;4-Morpholinobenzonitrile;N-(4-Cyanophenyl)morpholine;NSC 698610; |
| Density: | 1.17 g/cm3 |
| Melting Point: | 85 °C |
| Boiling Point: | 371.7 °C at 760mmHg |
| Flash Point: | 178.6 °C |
| Solubility: | Soluble in water. |
| PSA: | 36.26000 |
| LogP: | 1.45988 |
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Specification
The Benzonitrile,4-(4-morpholinyl)-, with the CAS registry number 10282-31-2, is also known as 4-Morpholinobenzonitrile. It belongs to the product category of Aromatic Nitriles. This chemical's molecular formula is C11H12N2O and molecular weight is 188.23. What's more, its systematic name is called 4-Morpholin-4-ylbenzonitrile. In addition, this chemical should be stored in a cool and dry place.
Physical properties about Benzonitrile,4-(4-morpholinyl)- are: (1)(1)ACD/LogP: 1.24; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.12; (6)ACD/BCF (pH 7.4): 5.12; (7)ACD/KOC (pH 5.5): 111.98; (8)ACD/KOC (pH 7.4): 112; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.26 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 53.41 cm3; (15)Molar Volume: 159.7 cm3; (16)Polarizability: 21.17×10-24 cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 178.6 °C; (20)Enthalpy of Vaporization: 61.88 kJ/mol; (21)Boiling Point: 371.7 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(cc1)N2CCOCC2
(2) InChI: InChI=1/C11H12N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-8H2
(3) InChIKey: ZSCUWVQXQDCSRV-UHFFFAOYAL