2,2-Diethoxyacetamide

The 2,2-Diethoxyacetamide, with CAS registry number 61189-99-9, has the systematic name of 2,2-diethoxyacetamide. This chemical is a kind of off-white crystalline powder. When use this chemical, do not breathe dust and avoid contact with skin and eyes. And the chemical formula of this chemical is C₆H₁₃NO₃. What's more, its EINECS is 262-647-7.

Physical properties of 2,2-Diethoxyacetamide: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.67; (8)ACD/KOC (pH 7.4): 34.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 36.86 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 14.61×10^-24cm³; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 84.7 °C; (20)Enthalpy of Vaporization: 45.36 kJ/mol; (21)Boiling Point: 217.3 °C at 760 mmHg; (22)Vapour Pressure: 0.134 mmHg at 25°C.

Preparation: this chemical can be prepared by diethoxyacetic acid ethyl ester. This reaction will need reagents absolute alcohol, concentrated ammonia.

Uses of p-Chloropropiophenone: it can be used to produce diethoxyacetonitrile. This reaction will need reagents P₂O₅, quinoline.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)C(OCC)OCC
(2)InChI: InChI=1/C6H13NO3/c1-3-9-6(5(7)8)10-4-2/h6H,3-4H2,1-2H3,(H2,7,8)
(3)InChIKey: DSKGWFQMJHBHRT-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H13NO3/c1-3-9-6(5(7)8)10-4-2/h6H,3-4H2,1-2H3,(H2,7,8)
(5)Std. InChIKey: DSKGWFQMJHBHRT-UHFFFAOYSA-N