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| CAS No.: | 3235-82-3 |
|---|---|
| Name: | ETHYL MORPHOLINOACETATE, 98 |
| Article Data: | 45 |
| Molecular Structure: | |
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| Formula: | C8H15NO3 |
| Molecular Weight: | 173.212 |
| Synonyms: | 4-(Ethoxycarbonylmethyl)morpholine;Ethyl (4-morpholinyl)acetate;Ethyl 2-morpholinoacetate;Ethyl4-morpholineacetate;Ethyl morpholinoacetate;Morpholin-4-ylacetic acid ethylester;ethyl 2-morpholinoacetate;4-Morpholineacetic acid, ethyl ester;Ethyl morpholin-4-ylacetate; |
| Density: | 1.065 g/cm3 |
| Boiling Point: | 234.793 °C at 760 mmHg |
| Flash Point: | 95.8 °C |
| Appearance: | clear light yellow liquid |
| PSA: | 38.77000 |
| LogP: | -0.18040 |
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Specification
The 4-Morpholineaceticacid, ethyl ester, with the CAS registry number 3235-82-3, has the systematic name of ethyl 2-morpholinoacetate. It is a kind of clear light yellow liquid, and it is also called ethyl 2-morpholin-4-ylacetate. And the molecular formula of the chemical is C8H15NO3.
The characteristics of 4-Morpholineaceticacid, ethyl ester are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16.486; (5)ACD/KOC (pH 7.4): 22.364; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 38.77 Å2; (10)Index of Refraction: 1.453; (11)Molar Refractivity: 43.986 cm3; (12)Molar Volume: 162.628 cm3; (13)Polarizability: 17.437×10-24cm3; (14)Surface Tension: 34.108 dyne/cm; (15)Density: 1.065 g/cm3; (16)Flash Point: 95.8 °C; (17)Enthalpy of Vaporization: 47.154 kJ/mol; (18)Boiling Point: 234.793 °C at 760 mmHg; (19)Vapour Pressure: 0.052 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)CN1CCOCC1
(2)InChI: InChI=1/C8H15NO3/c1-2-12-8(10)7-9-3-5-11-6-4-9/h2-7H2,1H3
(3)InChIKey: SITMDWHJQROIPF-UHFFFAOYAA