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| CAS No.: | 78196-53-9 |
|---|---|
| Name: | 4-NITROBENZOYL-GLYCYL-GLYCINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H11N3O6 |
| Molecular Weight: | 281.225 |
| Synonyms: | Glycine,N-[N-(4-nitrobenzoyl)glycyl]-;p-Nitrobenzoylglycylglycine; |
| Density: | 1.466 g/cm3 |
| Melting Point: | 218 °C |
| Boiling Point: | 694.1 °C at 760 mmHg |
| Flash Point: | 373.6 °C |
| PSA: | 141.32000 |
| LogP: | 0.83040 |
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- Total:10 Page 1 of 1 1
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Specification
The Glycine, N-(4-nitrobenzoyl)glycyl-, with the CAS registry number 78196-53-9, is also known as 4-Nitrobenzoyl-glycyl-glycine. This chemical's molecular formula is C11H11N3O6 and molecular weight is 281.22. What's more, its systematic name is N-(4-Nitrobenzoyl)glycylglycine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant, ignition source.
Physical properties about Glycine, N-(4-nitrobenzoyl)glycyl- are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.1; (4)ACD/LogD (pH 7.4): -3.46; (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: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 112.74 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 65.5 cm3; (15)Molar Volume: 191.7 cm3; (16)Polarizability: 25.96×10-24 cm3; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.466 g/cm3; (19)Flash Point: 373.6 °C; (20)Enthalpy of Vaporization: 106.78 kJ/mol; (21)Boiling Point: 694.1 °C at 760 mmHg; (22)Vapour Pressure: 3.16E-20 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(C(=O)NCC(=O)NCC(=O)O)cc1
(2) InChI: InChI=1/C11H11N3O6/c15-9(12-6-10(16)17)5-13-11(18)7-1-3-8(4-2-7)14(19)20/h1-4H,5-6H2,(H,12,15)(H,13,18)(H,16,17)
(3) InChIKey: WQJHGFSTRONKLC-UHFFFAOYAK