N-(2,5-Dioxooxolan-3-yl)acetamide supplier

Name
N-Acetyl-L-aspartic acid anhydride
EINECS
CAS No. 41148-79-2
Article Data6
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point 141 °C
Formula C₆H₇NO₄
Boiling Point 479.3 °C at 760 mmHg
Molecular Weight 157.126
Flash Point 243.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 72.47000
LogP -0.64450

N-(2,5-Dioxooxolan-3-yl)acetamide Specification

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

Product Name

N-Acetyl-L-aspartic acid anhydride

N-(2,5-Dioxooxolan-3-yl)acetamide Specification

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