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This chemical is called Diethyl N-(oxomethylidene)-L-glutamate, and its CAS registry number is 145080-95-1. With the molecular formula of C10H15NO5, its molecular weight is 229.23. Additionally, its product categories are Chiral Building Blocks; Isocyanates (Chiral); Synthetic Organic Chemistry. In addition, this chemical should be stored in the refrigerator.
Other characteristics of the Diethyl N-(oxomethylidene)-L-glutamate can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 77; (6)ACD/BCF (pH 7.4): 77; (7)ACD/KOC (pH 5.5): 779; (8)ACD/KOC (pH 7.4): 779; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 82.03 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 56.648 cm3; (15)Molar Volume: 201.442 cm3; (16)Polarizability: 22.457×10-24cm3; (17)Surface Tension: 38.11 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 113.998 °C; (20)Enthalpy of Vaporization: 52.864 kJ/mol; (21)Boiling Point: 289.346 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)CC[C@H](/N=C=O)C(=O)OCC
2.InChI: InChI=1/C10H15NO5/c1-3-15-9(13)6-5-8(11-7-12)10(14)16-4-2/h8H,3-6H2,1-2H3/t8-/m0/s1
3.InChIKey: TZTLQVZEVNEAQD-QMMMGPOBBH