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31466-47-4

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Basic Information
CAS No.: 31466-47-4
Name: 2-)4-METHOXYPHENYL)-2-MORPHOLIN-4-YETHYLAMINE DIHYDROCHLORIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 31466-47-4 (2-)4-METHOXYPHENYL)-2-MORPHOLIN-4-YETHYLAMINE DIHYDROCHLORIDE)
Formula: C13H20N2O2
Molecular Weight: 236.314
Synonyms: 2-(4-Methoxyphenyl)-2-morpholinoethanamine;
Density: 1.115 g/cm3
Boiling Point: 359.4 °C at 760 mmHg
Flash Point: 171.2 °C
PSA: 47.72000
LogP: 1.66540
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Specification

The 4-Morpholineethanamine,b-(4-methoxyphenyl)-, with the CAS registry number of 31466-47-4, is also known as 2-(4-Methoxyphenyl)-2-morpholinoethanamine. Its molecular formula is C13H20N2O2 and molecular weight is 236.313. What's more, its IUPAC name is 2-(4-Methoxyphenyl)-2-morpholin-4-ylethanamine.

Physical properties about the 4-Morpholineethanamine,b-(4-methoxyphenyl)- are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 24.94 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 67.63 cm3; (9)Molar Volume: 211.7 cm3; (10)Surface Tension: 44.6 dyne/cm; (11)Density: 1.115 g/cm3; (12)Flash Point: 171.2 °C; (13)Enthalpy of Vaporization: 60.5 kJ/mol; (14)Boiling Point: 359.4 °C at 760 mmHg; (15)Vapour Pressure: 2.38E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)C(N2CCOCC2)CN)C
(2) InChI: InChI=1/C13H20N2O2/c1-16-12-4-2-11(3-5-12)13(10-14)15-6-8-17-9-7-15/h2-5,13H,6-10,14H2,1H3
(3) InChIKey: ZDQVUBJFLWWYQA-UHFFFAOYAK