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2,2-Diethoxyacetamide

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Name

2,2-Diethoxyacetamide

EINECS 262-647-7
CAS No. 61189-99-9 Density 1.04 g/cm3
PSA 61.55000 LogP 0.57110
Solubility N/A Melting Point 76-78 °C(lit.)
Formula C6H13NO3 Boiling Point 217.3 °C at 760 mmHg
Molecular Weight 147.174 Flash Point 84.7 °C
Transport Information N/A Appearance off-white crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 61189-99-9 (2,2-Diethoxyacetamide) Hazard Symbols N/A
Synonyms

Glyoxylamide,diethyl acetal (6CI);2,2-Diethoxyacetamide;NSC 363000;

Article Data 12

2,2-Diethoxyacetamide Specification

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

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