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6131-05-1

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Basic Information
CAS No.: 6131-05-1
Name: 3-Methoxy-4-(2-morpholin-4-yl-ethoxy)-benzaldehyde
Molecular Structure:
Molecular Structure of 6131-05-1 (3-Methoxy-4-(2-morpholin-4-yl-ethoxy)-benzaldehyde)
Formula: C14H19NO4
Molecular Weight: 265.3
Synonyms: Benzaldehyde, 3-methoxy-4-[2-(4-morpholinyl)ethoxy]-;
Density: 1.152 g/cm3
Boiling Point: 424.5 °C at 760 mmHg
Flash Point: 210.5 °C
Hazard Symbols: IrritantXi
PSA: 48.00000
LogP: 1.15660
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Specification

The 3-Methoxy-4-(2-morpholin-4-yl-ethoxy)-benzaldehyde, with the CAS registry number 6131-05-1, is also known as Benzaldehyde, 3-methoxy-4-[2-(4-morpholinyl)ethoxy]-. This chemical's molecular formula is C14H19NO4 and molecular weight is 265.3. What's more, its IUPAC name is 3-Methoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-Methoxy-4-(2-morpholin-4-yl-ethoxy)-benzaldehyde are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 48 Å2; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 72.62 cm3; (9)Molar Volume: 230.1 cm3; (10)Polarizability: 28.79×10-24 cm3; (11)Surface Tension: 42.3 dyne/cm; (12)Density: 1.152 g/cm3; (13)Flash Point: 210.5 °C; (14)Enthalpy of Vaporization: 67.9 kJ/mol; (15)Boiling Point: 424.5 °C at 760 mmHg; (16)Vapour Pressure: 2.06E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2ccc(OCCN1CCOCC1)c(OC)c2
(2) InChI: InChI=1/C14H19NO4/c1-17-14-10-12(11-16)2-3-13(14)19-9-6-15-4-7-18-8-5-15/h2-3,10-11H,4-9H2,1H3
(3) InChIKey: JKXHPYSLLHSPDF-UHFFFAOYAB