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CAS No.: | 58028-76-5 |
---|---|
Name: | 2-MORPHOLINOBENZALDEHYDE |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C11H13NO2 |
Molecular Weight: | 191.23 |
Synonyms: | 2-(Morpholin-4-yl)benzaldehyde;2-Morpholinobenzaldehyde; |
Density: | 1.163g/cm3 |
Melting Point: | 45-48°C |
Boiling Point: | 342.8 °C at 760 mmHg |
Flash Point: | 161.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 52 |
Safety: | 24/25 |
PSA: | 29.54000 |
LogP: | 1.40070 |
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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