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| CAS No.: | 53171-35-0 |
|---|---|
| Name: | SUCCINAMIC ACID ETHYL ESTER |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H11NO3 |
| Molecular Weight: | 145.158 |
| Synonyms: | Succinamic acid ethyl ester;Ethyl 4-amino-4-oxobutanoate; |
| Density: | 1.1 g/cm3 |
| Boiling Point: | 305.6 °C at 760 mmHg |
| Flash Point: | 173.3 °C |
| PSA: | 69.39000 |
| LogP: | 0.51530 |
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- Total:19 Page 1 of 1 1
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Specification
The Butanoic acid,4-amino-4-oxo-,ethyl ester, with the CAS registry number of 53171-35-0, is also known as Succinamic acid ethyl ester. The molecular formula of this chemical is C6H11NO3 and its molecular weight is 145.16. What's more, its IUPAC name is Ethyl 4-amino-4-oxobutanoate.
Physical properties about Butanoic acid,4-amino-4-oxo-,ethyl ester are: (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): 15.21; (5)ACD/KOC (pH 7.4): 15.21; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 69.39 Å2; (10)Index of Refraction: 1.446; (11)Molar Refractivity: 35.18 cm3; (12)Molar Volume: 131.8 cm3; (13)Polarizability: 13.94×10-24 cm3; (14)Surface Tension: 39 dyne/cm; (15)Density: 1.1 g/cm3; (16)Flash Point: 173.3 °C; (17)Enthalpy of Vaporization: 54.6 kJ/mol; (18)Boiling Point: 305.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000814 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)CCC(=O)OCC
(2) InChI: InChI=1/C6H11NO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H2,7,8)
(3) InChIKey: AJZOXCVIKHPZEU-UHFFFAOYAC