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644972-55-4

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Basic Information
CAS No.: 644972-55-4
Name: 3-ETHYL-4-(METHOXYAMINO)-2,5-DIOXOIMIDAZOLIDINE-4-CARBONITRILE
Molecular Structure:
Molecular Structure of 644972-55-4 (3-ETHYL-4-(METHOXYAMINO)-2,5-DIOXOIMIDAZOLIDINE-4-CARBONITRILE)
Formula: C7H10N4O3
Molecular Weight: 198.181
Synonyms: 4-imidazolidinecarbonitrile, 3-ethyl-4-(methoxyamino)-2,5-dioxo-;
Density: 1.38 g/cm3
PSA: 94.46000
LogP: -0.41342
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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