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| CAS No.: | 870-85-9 |
|---|---|
| Name: | Ethyl 3-(methylamino)-2-butenoate |
| Molecular Structure: | |
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| Formula: | C7H13NO2 |
| Molecular Weight: | 143.186 |
| Synonyms: | Ethyl 3-(methylamino)crotonate;Ethyl b-(methylamino)crotonate;NSC61982;Ethyl3-(methylamino)-2-butenoate;Crotonicacid, 3-(methylamino)-, ethyl ester (6CI,7CI,8CI); |
| Density: | 0.955 g/cm3 |
| Boiling Point: | 207.9 °C at 760 mmHg |
| Flash Point: | 79.5 °C |
| Appearance: | Oil |
| PSA: | 38.33000 |
| LogP: | 1.06360 |
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Specification
This chemical is called Ethyl 3-(methylamino)-2-butenoate, and its CAS registry number is 870-85-9. With the molecular formula of C7H13NO2, its molecular weight is 143.18. Additionally, its product category is Ketones.
Other characteristics of the Ethyl 3-(methylamino)-2-butenoate can be summarised as followings: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.443; (8)Molar Refractivity: 39.74 cm3; (9)Molar Volume: 149.7 cm3; (10)Polarizability: 15.75×10-24cm3; (11)Surface Tension: 28.7 dyne/cm; (12)Density: 0.955 g/cm3; (13)Flash Point: 79.5 °C; (14)Enthalpy of Vaporization: 44.41 kJ/mol; (15)Boiling Point: 207.9 °C at 760 mmHg; (16)Vapour Pressure: 0.22 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)C=C(NC)C
2.InChI: InChI=1/C7H13NO2/c1-4-10-7(9)5-6(2)8-3/h5,8H,4H2,1-3H3
3.InChIKey: FARYTWBWLZAXNK-UHFFFAOYAJ