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49552-13-8

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Basic Information
CAS No.: 49552-13-8
Name: 1-ethyl-2-cyanoiminoimidazolidine
Molecular Structure:
Molecular Structure of 49552-13-8 (1-ethyl-2-cyanoiminoimidazolidine)
Formula: C6H10N4
Molecular Weight: 138.1704
Density: 1.18 g/cm3
Boiling Point: 210.3 °C at 760 mmHg
Flash Point: 81 °C
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Specification

The 1-Ethyl-2-cyanoiminoimidazolidine, with the CAS registry number 49552-13-8, has molecular formula C6H10N4. In addition, its molecular weight is 138.1704. Its systematic name is called [(2Z)-1-ethylimidazolidin-2-ylidene]cyanamide.

Physical properties of 1-Ethyl-2-cyanoiminoimidazolidine: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.15; (8)ACD/KOC (pH 7.4): 25.15; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 39.43 cm3; (14)Molar Volume: 116.5 cm3; (15)Surface Tension: 46.5 dyne/cm; (16)Density: 1.18 g/cm3; (17)Flash Point: 81 °C; (18)Enthalpy of Vaporization: 44.66 kJ/mol; (19)Boiling Point: 210.3 °C at 760 mmHg; (20)Vapour Pressure: 0.194 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN1CCN\C1=N\C#N
(2)InChI: InChI=1/C6H10N4/c1-2-10-4-3-8-6(10)9-5-7/h2-4H2,1H3,(H,8,9)
(3)InChIKey: FJOWWXPCMHSECA-UHFFFAOYAA