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| CAS No.: | 816-27-3 |
|---|---|
| Name: | ETHOXY-IMINO-ACETIC ACID ETHYL ESTER |
| Molecular Structure: | |
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| Formula: | C6H11NO3 |
| Molecular Weight: | 145.158 |
| Synonyms: | 2-Ethoxy-2-iminoacetic acid ethyl ester; |
| Density: | 1.081 g/cm3 |
| Boiling Point: | 151.068 °C at 760 mmHg |
| Flash Point: | 45.165 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 59.38000 |
| LogP: | 0.66300 |
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Specification
The Ethyl 2-ethoxy-2-iminoacetate, with the CAS registry number 816-27-3, is also known as 2-Ethoxy-2-iminoacetic acid ethyl ester. This chemical's molecular formula is C6H11NO3 and molecular weight is 145.16. What's more, its systematic name is called Ethyl ethoxy(imino)acetate.
Physical properties about Ethyl 2-ethoxy-2-iminoacetate are: (1) ACD/LogP: 0.94; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1; (4) ACD/LogD (pH 7.4): 1; (5) ACD/BCF (pH 5.5): 2; (6) ACD/BCF (pH 7.4): 2; (7) ACD/KOC (pH 5.5): 64; (8) ACD/KOC (pH 7.4): 65; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 59.38 Å2; (13) Index of Refraction: 1.44; (14) Molar Refractivity: 35.368 cm3; (15) Molar Volume: 134.272 cm3; (16) Surface Tension: 33.126 dyne/cm; (17) Density: 1.081 g/cm3; (18) Flash Point: 45.165 °C; (19) Enthalpy of Vaporization: 38.793 kJ/mol; (20) Boiling Point: 151.068 °C at 760 mmHg; (21) Vapour Pressure: 3.729 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=N)C(=O)OCC
(2) InChI: InChI=1/C6H11NO3/c1-3-9-5(7)6(8)10-4-2/h7H,3-4H2,1-2H3
(3) InChIKey: DSHWMBCJDOGPTB-UHFFFAOYAT