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141563-06-6

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Basic Information
CAS No.: 141563-06-6
Name: 1,5-DIAMINO-4-CYANOIMIDAZOLE
Molecular Structure:
Molecular Structure of 141563-06-6 (1,5-DIAMINO-4-CYANOIMIDAZOLE)
Formula: C4H5N5
Molecular Weight: 123.116
Synonyms: 1,5-diamino-1H-imidazole-4-carbonitrile;1,5-diamino-4-cyanoimidazole;1H-imidazole-4-carbonitrile, 1,5-diamino-;1H-imidazole-4-carbonitrile, 1,5-diamino-;
Density: 1.66 g/cm3
Boiling Point: 498.1 °C at 760 mmHg
Flash Point: 255 °C
PSA: 93.65000
LogP: 0.21318
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Specification

The 1H-Imidazole-4-carbonitrile,1,5-diamino-, with the CAS registry number 141563-06-6, has the systematic name of 1,5-diamino-1H-imidazole-4-carbonitrile. It belongs to the product category of Nitrile. And the molecular formula of this chemical is C4H5N5.

The physical properties of 1H-Imidazole-4-carbonitrile,1,5-diamino- are as following: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.46; (5)ACD/KOC (pH 7.4): 3.47; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 93.65 Å2; (10)Index of Refraction: 1.784; (11)Molar Refractivity: 31.17 cm3; (12)Molar Volume: 74 cm3; (13)Polarizability: 12.36×10-24cm3; (14)Surface Tension: 92.2 dyne/cm; (15)Density: 1.66 g/cm3; (16)Flash Point: 255 °C; (17)Enthalpy of Vaporization: 76.62 kJ/mol; (18)Boiling Point: 498.1 °C at 760 mmHg; (19)Vapour Pressure: 4.69E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncn(N)c1N
(2)InChI: InChI=1/C4H5N5/c5-1-3-4(6)9(7)2-8-3/h2H,6-7H2
(3)InChIKey: ICCPRBNZPFLELO-UHFFFAOYAI