Benzaldehyde,2-(4-morpholinyl)- (58028-76-5)

The 2-Morpholin-4-ylbenzaldehyde, with CAS registry number 58028-76-5, belongs to the following product categories: (1)Amines and Anilines; (2)Carbonyl Compounds. Its systematic name and its IUPAC name is the same one, which is 2-morpholin-4-ylbenzaldehyde. When use this chemical, please avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.25; (6)ACD/BCF (pH 7.4): 2.31; (7)ACD/KOC (pH 5.5): 61.87; (8)ACD/KOC (pH 7.4): 63.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 54.81 cm³; (15)Molar Volume: 164.4 cm³; (16)Polarizability: 21.73×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 58.66 kJ/mol; (19)Vapour Pressure: 7.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1N2CCOCC2
(2)InChI: InChI=1/C11H13NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,9H,5-8H2
(3)InChIKey: GTTAEWVBVHSDLX-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H13NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,9H,5-8H2
(5)Std. InChIKey: GTTAEWVBVHSDLX-UHFFFAOYSA-N