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| CAS No.: | 55477-80-0 |
|---|---|
| Name: | 2-tert-Butoxycarbonylamino-acrylic acid methyl ester |
| Molecular Structure: | |
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| Formula: | C9H15NO4 |
| Molecular Weight: | 201.222 |
| Synonyms: | Boc-dehydro-alanine methyl ester; |
| Density: | 1.071 g/cm3 |
| Boiling Point: | 265.285 °C at 760 mmHg |
| Flash Point: | 114.241 °C |
| PSA: | 64.63000 |
| LogP: | 1.58870 |
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Specification
The Methyl 2-tert-butoxycarbonylaminoacrylate, with the CAS registry number 55477-80-0, is also known as 2-(tert-Butoxycarbonylamino)-acrylic acid methyl ester. This chemical's molecular formula is C9H15NO4 and molecular weight is 201.22. Its IUPAC name is called methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate.
Physical properties of Methyl 2-tert-butoxycarbonylaminoacrylate: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 67; (7)ACD/KOC (pH 7.4): 66; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.449; (12)Molar Refractivity: 50.423 cm3; (13)Molar Volume: 187.82 cm3; (14)Surface Tension: 32.347 dyne/cm; (15)Density: 1.071 g/cm3; (16)Flash Point: 114.241 °C; (17)Enthalpy of Vaporization: 50.32 kJ/mol; (18)Boiling Point: 265.285 °C at 760 mmHg; (19)Vapour Pressure: 0.009 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(=C)C(=O)OC
(2)InChI: InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12)
(3)InChIKey: MGBHVVGQPZDMHA-UHFFFAOYSA-N