Specification: |
The 3-Ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile, with CAS registry number 644972-55-4, has the systematic name of 3-ethyl-4-(methoxyamino)-2,5-dioxo-imidazolidine-4-carbonitrile. And it is also called 4-imidazolidinecarbonitrile, 3-ethyl-4-(methoxyamino)-2,5-dioxo-.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 7; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 94.46 Å2; (6)Index of Refraction: 1.55; (7)Molar Refractivity: 45.51 cm3; (8)Molar Volume: 142.8 cm3; (9)Polarizability: 18.04×10-24cm3; (10)Surface Tension: 61.4 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: CCN1C(=O)NC(=O)C1(C#N)NOC
(2)InChI: InChI=1/C7H10N4O3/c1-3-11-6(13)9-5(12)7(11,4-8)10-14-2/h10H,3H2,1-2H3,(H,9,12,13)
(3)InChIKey: UHLOZXUJVHDKAG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H10N4O3/c1-3-11-6(13)9-5(12)7(11,4-8)10-14-2/h10H,3H2,1-2H3,(H,9,12,13)
(5)Std. InChIKey: UHLOZXUJVHDKAG-UHFFFAOYSA-N
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