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CAS No.: | 731812-03-6 |
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Name: | 4-(3-IODOBENZYL)MORPHOLINE |
Molecular Structure: | |
Formula: | C11H14INO |
Molecular Weight: | 303.143 |
Synonyms: | 4-(3-Iodobenzyl)morpholine;4-[(3-iodophenyl)methyl]morpholine; |
Density: | 1.604 g/cm3 |
Melting Point: | 32 °C |
Boiling Point: | 333.303 °C at 760 mmHg |
Flash Point: | 155.377 °C |
Hazard Symbols: | C |
PSA: | 12.47000 |
LogP: | 2.06130 |
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The Morpholine,4-[(3-iodophenyl)methyl]-, with the CAS registry number 731812-03-6, has the systematic name of 4-(3-iodobenzyl)morpholine. It belongs to the product category of Aromatic Morpholines. And the molecular formula of the chemical is C11H14INO.
The characteristics of Morpholine,4-[(3-iodophenyl)methyl]- are as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 26; (8)ACD/KOC (pH 7.4): 322; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 65.692 cm3; (15)Molar Volume: 188.934 cm3; (16)Polarizability: 26.042×10-24cm3; (17)Surface Tension: 47.148 dyne/cm; (18)Density: 1.604 g/cm3; (19)Flash Point: 155.377 °C; (20)Enthalpy of Vaporization: 57.615 kJ/mol; (21)Boiling Point: 333.303 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic2cc(CN1CCOCC1)ccc2
(2)InChI: InChI=1/C11H14INO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
(3)InChIKey: AXOCSNJJTDANIB-UHFFFAOYAN