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CAS No.: | 20172-97-8 |
---|---|
Name: | N,N'-Di-2-pyridinylethanediamide |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C12H10N4O2 |
Molecular Weight: | 242.237 |
Synonyms: | N,N'-Di-2-pyridinylethanediamide; |
Density: | 1.425 g/cm3 |
Melting Point: | 119-120 oC |
PSA: | 83.98000 |
LogP: | 1.19980 |
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The N,N'-Bis(2-pyridyl)oxalamide, with the CAS registry number 20172-97-8, has the systematic name of N,N'-di(pyridin-2-yl)ethanediamide. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C12H10N4O2.
The characteristics of N,N'-Bis(2-pyridyl)oxalamide are as followings: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12.91; (6)ACD/KOC (pH 7.4): 12.79; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 66.4 Å2; (11)Index of Refraction: 1.703; (12)Molar Refractivity: 65.91 cm3; (13)Molar Volume: 169.9 cm3; (14)Polarizability: 26.13×10-24cm3; (15)Surface Tension: 74.1 dyne/cm; (16)Density: 1.425 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ncccc1)C(=O)Nc2ncccc2
(2)InChI: InChI=1/C12H10N4O2/c17-11(15-9-5-1-3-7-13-9)12(18)16-10-6-2-4-8-14-10/h1-8H,(H,13,15,17)(H,14,16,18)
(3)InChIKey: AEGDXMYEDPEYCG-UHFFFAOYAF