Benzeneacetaldehyde,4-(4-morpholinyl)-a-oxo- supplier

Name
4-MORPHOLINOPHENYLGLYOXAL
EINECS
CAS No. 361344-43-6
Density 1.207 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃NO₃
Boiling Point 386.532 °C at 760 mmHg
Molecular Weight 219.2365
Flash Point 187.568 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [4-(morpholin-4-yl)phenyl](oxo)acetaldehyde;4-Morpholinophenylglyoxal;
PSA 46.61000
LogP 0.96980

Benzeneacetaldehyde,4-(4-morpholinyl)-a-oxo- Specification

The Benzeneacetaldehyde,4-(4-morpholinyl)-a-oxo-, with the CAS registry number 361344-43-6, has the systematic name of [4-(morpholin-4-yl)phenyl](oxo)acetaldehyde. It belongs to the product category of Pharmacetical. And the molecular formula of this chemical is C₁₂H₁₃NO₃.

The physical properties of Benzeneacetaldehyde,4-(4-morpholinyl)-a-oxo- are as following: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27; (8)ACD/KOC (pH 7.4): 27; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 58.278 cm³; (15)Molar Volume: 181.593 cm³; (16)Polarizability: 23.103×10^-24cm³; (17)Surface Tension: 46.219 dyne/cm; (18)Density: 1.207 g/cm³; (19)Flash Point: 187.568 °C; (20)Enthalpy of Vaporization: 63.548 kJ/mol; (21)Boiling Point: 386.532 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(=O)c1ccc(cc1)N2CCOCC2
(2)InChI: InChI=1/C12H13NO3/c14-9-12(15)10-1-3-11(4-2-10)13-5-7-16-8-6-13/h1-4,9H,5-8H2
(3)InChIKey: YYRFNKUMQLISOP-UHFFFAOYAG

Product Name

4-MORPHOLINOPHENYLGLYOXAL

Benzeneacetaldehyde,4-(4-morpholinyl)-a-oxo- Specification

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