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CAS No.: | 51145-57-4 |
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Name: | Ethyl 2-acetyl-3-(dimethylamino)acrylate |
Article Data: | 59 |
Molecular Structure: | |
Formula: | C9H15NO3 |
Molecular Weight: | 185.223 |
Synonyms: | Acetoaceticacid, 2-[(dimethylamino)methylene]-, ethyl ester (6CI,7CI);2-Acetyl-3-dimethylaminoacrylic acid ethyl ester;2-[1-Dimethylamino-methylidene]-3-oxo-butyric acid ethyl ester;Ethyl 2-dimethylaminomethylene-3-oxobutanoate; |
Density: | 1.038 g/cm3 |
Melting Point: | 41-44 °C(Solv: isopropyl ether (108-20-3)) |
Boiling Point: | 246.3 °C at 760 mmHg |
Flash Point: | 102.8 °C |
Appearance: | yellow oil |
Hazard Symbols: | Xi,C |
Risk Codes: | 36/37/38-34 |
Safety: | 26-36/37/39-45-23 |
PSA: | 46.61000 |
LogP: | 0.58400 |
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This chemical is called Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester, and its CAS registry number is 51145-57-4. With the molecular formula of C9H15NO3, its molecular weight is 185.22. Additionally, its product categories are Aliphatics; Esters; API Intermediates; Miscellaneous Reagents.
Other characteristics of the Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, ethyl ester can be summarised as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 46.61 Å2; (7)Index of Refraction: 1.463; (8)Molar Refractivity: 49.17 cm3; (9)Molar Volume: 178.3 cm3; (10)Polarizability: 19.49×10-24cm3; (11)Surface Tension: 33.4 dyne/cm; (12)Density: 1.038 g/cm3; (13)Flash Point: 102.8 °C; (14)Enthalpy of Vaporization: 48.34 kJ/mol; (15)Boiling Point: 246.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0273 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. It causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(C(=CN(C)C)C(=O)OCC)C
2.InChI: InChI=1/C9H15NO3/c1-5-13-9(12)8(7(2)11)6-10(3)4/h6H,5H2,1-4H3
3.InChIKey: LQSOVGAUOHMPLK-UHFFFAOYAM