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| CAS No.: | 61189-99-9 |
|---|---|
| Name: | 2,2-Diethoxyacetamide |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C6H13NO3 |
| Molecular Weight: | 147.174 |
| Synonyms: | Glyoxylamide,diethyl acetal (6CI);2,2-Diethoxyacetamide;NSC 363000; |
| EINECS: | 262-647-7 |
| Density: | 1.04 g/cm3 |
| Melting Point: | 76-78 °C(lit.) |
| Boiling Point: | 217.3 °C at 760 mmHg |
| Flash Point: | 84.7 °C |
| Appearance: | off-white crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 61.55000 |
| LogP: | 0.57110 |
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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.
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Uses of p-Chloropropiophenone: it can be used to produce diethoxyacetonitrile. This reaction will need reagents P2O5, quinoline.
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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