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101558-72-9

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Basic Information
CAS No.: 101558-72-9
Name: 4-[2-(2-BROMOPHENOXY)ETHYL]MORPHOLINE
Molecular Structure:
Molecular Structure of 101558-72-9 (4-[2-(2-BROMOPHENOXY)ETHYL]MORPHOLINE)
Formula: C12H16BrNO2
Molecular Weight: 286.16
Synonyms: 4-[2-(2-Bromophenoxy)ethyl]morpholine 97%;
Density: 1.358 g/cm3
Boiling Point: 368.9 °C at 760 mmHg
Flash Point: 176.9 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 21.70000
LogP: 2.09800
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Specification

The Morpholine,4-[2-(2-bromophenoxy)ethyl]-, with the CAS registry number 101558-72-9, is also known as 4-[2-(2-Bromophenoxy)ethyl]morpholine 97%. This chemical's molecular formula is C12H16BrNO2 and formula weight is 286.16. What's more, its systematic name is called 4-[2-(2-bromophenoxy)ethyl]morpholine.

Physical properties of Morpholine,4-[2-(2-bromophenoxy)ethyl]-: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.547; (7)Molar Refractivity: 66.88 cm3; (8)Molar Volume: 210.7 cm3; (9)Surface Tension: 40.8 dyne/cm; (10)Density: 1.358 g/cm3; (11)Flash Point: 176.9 °C; (12)Enthalpy of Vaporization: 61.56 kJ/mol; (13)Boiling Point: 368.9 °C at 760 mmHg; (14)Vapour Pressure: 1.23E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccccc2OCCN1CCOCC1
(2)InChI: InChI=1/C12H16BrNO2/c13-11-3-1-2-4-12(11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10H2
(3)InChIKey: MPHOIECXJQINLZ-UHFFFAOYAY