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2-Furancarboxaldehyde,5-(4-morpholinyl)- (3680-96-4)

Identification
Name:2-Furancarboxaldehyde,5-(4-morpholinyl)-
Synonyms:2-Furaldehyde,5-morpholino- (7CI,8CI); 5-Morpholino-2-furancarboxaldehyde;5-Morpholinofurfural
CAS:3680-96-4
Molecular Formula: C9H11 N O3
Molecular Weight: 181.19
InChI: InChI=1/C9H11NO3/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
Molecular Structure: (C9H11NO3) 2-Furaldehyde,5-morpholino- (7CI,8CI); 5-Morpholino-2-furancarboxaldehyde;5-Morpholinofurfural
Properties
Flash Point: 168.2°C
Boiling Point: 354.5°C at 760 mmHg
Density:1.23g/cm3
Refractive index:1.553
Specification:

The systematic name of 5-Morpholin-4-yl-2-furaldehyde is 5-(morpholin-4-yl)furan-2-carbaldehyde. With the CAS registry number 3680-96-4, it is also named as 5-(Morpholin-4-yl)furan-2-carbaldehyde. The product's molecular formula is C9H11NO3 and its molecular weight is 181.19. 

The other characteristics of 5-Morpholin-4-yl-2-furaldehyde can be summarized as: (1)ACD/LogP: -0.13 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.13 ; (4)ACD/LogD (pH 7.4): -0.13 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 20.29 ; (8)ACD/KOC (pH 7.4): 20.29 ; (9)H bond acceptors: 4 ; (10)H bond donors: 0 ; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.553 ; (13)Molar Refractivity: 47.11 cm3 ; (14)Molar Volume: 147.2 cm3; (15)Surface Tension: 46 dyne/cm ; (16)Density: 1.23 g/cm3 ; (17)Flash Point: 168.2 °C ; (18)Enthalpy of Vaporization: 59.95 kJ/mol ; (19)Boiling Point: 354.5 °C at 760 mmHg ; (20)Vapour Pressure: 3.34E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=Cc2oc(N1CCOCC1)cc2;
(2)InChI:InChI=1/C9H11NO3/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2;
(3)InChIKey:XPUSBRXFPCGEKP-UHFFFAOYAV;
(4)Std. InChI:InChI=1S/C9H11NO3/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2;
(5)Std. InChIKey:XPUSBRXFPCGEKP-UHFFFAOYSA-N.

Flash Point: 168.2°C
Safety Data
 

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