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CAS No.: | 41148-79-2 |
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Name: | N-Acetyl-L-aspartic acid anhydride |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H7NO4 |
Molecular Weight: | 157.126 |
Synonyms: | n-(2,5-dioxooxolan-3-yl)acetamide;N-Acetyl L-aspartic anhydride;N-[(S)-Tetrahydro-2,5-dioxofuran-3-yl]acetamide;Nsc128612;N-(2,5-Dioxotetrahydrofuran-3-yl)acetaMide |
Density: | 1.36 g/cm3 |
Melting Point: | 141 °C |
Boiling Point: | 479.3 °C at 760 mmHg |
Flash Point: | 243.7 °C |
PSA: | 72.47000 |
LogP: | -0.64450 |
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This chemical is called N-(2,5-Dioxooxolan-3-yl)acetamide, and it can also be named as acetamide, N-(tetrahydro-2,5-dioxo-3-furanyl)-. With the molecular formula of C6H7NO4, its molecular weight is 157.12. The CAS registry number of this chemical is 41148-79-2.
Other characteristics of the N-(2,5-Dioxooxolan-3-yl)acetamide can be summarised as followings: (1)ACD/LogP: -2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.53; (4)ACD/LogD (pH 7.4): -2.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.68 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 33.49 cm3; (15)Molar Volume: 115.5 cm3; (16)Polarizability: 13.27×10-24cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 243.7 °C; (20)Enthalpy of Vaporization: 74.36 kJ/mol; (21)Boiling Point: 479.3 °C at 760 mmHg; (22)Vapour Pressure: 2.39E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC1C(=O)OC(=O)C1)C
2.InChI: InChI=1/C6H7NO4/c1-3(8)7-4-2-5(9)11-6(4)10/h4H,2H2,1H3,(H,7,8)
3.InChIKey: JMQITILRHSGUCB-UHFFFAOYAJ