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342401-60-9

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Basic Information
CAS No.: 342401-60-9
Name: 4-(IODOMETHYL)-MORPHOLINE
Molecular Structure:
Molecular Structure of 342401-60-9 (4-(IODOMETHYL)-MORPHOLINE)
Formula: C5H10INO
Molecular Weight: 227.04
Synonyms: 4-(IODOMETHYL)-MORPHOLINE
Density: 1.767g/cm3
Boiling Point: 213.2 °C at 760 mmHg
Flash Point: 82.7 °C
PSA: 12.47000
LogP: 0.64900
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Specification

The Morpholine,4-(iodomethyl)-, with CAS registry number 342401-60-9, has the systematic name of 4-(iodomethyl)morpholine. Its molecular weight is 227.04. And the chemical formula of this chemical is C5H10INO.

Physical properties of Morpholine,4-(iodomethyl)-: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 1.67; (6)ACD/BCF (pH 7.4): 3.07; (7)ACD/KOC (pH 5.5): 42.24; (8)ACD/KOC (pH 7.4): 77.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 41.28 cm3; (15)Molar Volume: 128.4 cm3; (16)Polarizability: 16.36×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.767 g/cm3; (19)Flash Point: 82.7 °C; (20)Enthalpy of Vaporization: 44.95 kJ/mol; (21)Boiling Point: 213.2 °C at 760 mmHg; (22)Vapour Pressure: 0.166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICN1CCOCC1
(2)InChI: InChI=1/C5H10INO/c6-5-7-1-3-8-4-2-7/h1-5H2
(3)InChIKey: QGFJMLXPAUSHGG-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H10INO/c6-5-7-1-3-8-4-2-7/h1-5H2
(5)Std. InChIKey: QGFJMLXPAUSHGG-UHFFFAOYSA-N