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94109-94-1

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Basic Information
CAS No.: 94109-94-1
Name: 1,1'-(ethane-1,2-diyl)bis[2-amino-1,5-dihydro-4H-imidazol-4-one]
Molecular Structure:
Molecular Structure of 94109-94-1 (1,1'-(ethane-1,2-diyl)bis[2-amino-1,5-dihydro-4H-imidazol-4-one])
Formula: C8H12N6O2
Molecular Weight: 224.21988
Synonyms: 1,1'-(Ethane-1,2-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one);
EINECS: 302-534-2
Density: 1.81 g/cm3
Boiling Point: 435.1 °C at 760 mmHg
Flash Point: 217 °C
PSA: 119.36000
LogP: -1.65340
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Specification

The 4H-Imidazol-4-one,1,1'-(1,2-ethanediyl)bis[2-amino-1,5-dihydro-, with the CAS registry number 94109-94-1, is also known as 1,1'-(Ethane-1,2-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one). Its EINECS registry number is 302-534-2. This chemical's molecular formula is C8H12N6O2 and molecular weight is 224.21988. Its IUPAC name is called 2-amino-3-[2-(2-amino-5-oxo-4H-imidazol-3-yl)ethyl]-4H-imidazol-5-one.

Physical properties of 4H-Imidazol-4-one,1,1'-(1,2-ethanediyl)bis[2-amino-1,5-dihydro-: (1)#H bond acceptors: 8; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.821; (5)Molar Refractivity: 53.86 cm3; (6)Molar Volume: 123.5 cm3; (7)Surface Tension: 96.3 dyne/cm; (8)Density: 1.81 g/cm3; (9)Flash Point: 217 °C; (10)Enthalpy of Vaporization: 69.13 kJ/mol; (11)Boiling Point: 435.1 °C at 760 mmHg; (12)Vapour Pressure: 8.98E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)N=C(N1CCN2CC(=O)N=C2N)N
(2)InChI: InChI=1S/C8H12N6O2/c9-7-11-5(15)3-13(7)1-2-14-4-6(16)12-8(14)10/h1-4H2,(H2,9,11,15)(H2,10,12,16)
(3)InChIKey: OWVNMJLUJPSCBU-UHFFFAOYSA-N