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66639-67-6

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Basic Information
CAS No.: 66639-67-6
Name: 1,2-Di(5-amidino-2-benzofuranyl)ethane
Molecular Structure:
Molecular Structure of 66639-67-6 (1,2-Di(5-amidino-2-benzofuranyl)ethane)
Formula: C20H18N4O2
Molecular Weight: 346.3825
Synonyms: 2-[2-(5-carbamimidoylbenzofuran-2-yl)ethyl]benzofuran-5-carboximidamide;5-Benzofurancarboximidamide, 2,2'-(1,2-ethanediyl)bis-;2,2-(1,2-Ethanediyl)bis(5-benzofurancarboximidamide);
Density: 1.44 g/cm3
Boiling Point: 530.6 °C at 760 mmHg
Flash Point: 274.7 °C
PSA: 126.02000
LogP: 5.13240
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Specification

This chemical is called 1,2-Di(5-amidino-2-benzofuranyl)ethane, and its systematic name is 5-Benzofurancarboximidamide, 2,2'-(1,2-ethanediyl)bis-. With the molecular formula of C20H18N4O2, its molecular weight is 346.3825. The CAS registry number of this chemical is 66639-67-6. Additionally, its classification code is Mutation data.

Other characteristics of the 1,2-Di(5-amidino-2-benzofuranyl)ethane can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.48 Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 94.95 cm3; (15)Molar Volume: 240.5 cm3; (16)Polarizability: 37.64×10-24cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 274.7 °C; (20)Enthalpy of Vaporization: 80.59 kJ/mol; (21)Boiling Point: 530.6 °C at 760 mmHg; (22)Vapour Pressure: 2.43E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [N@H]=C(N)c1cc2cc(oc2cc1)CCc4oc3ccc(cc3c4)C(=[N@H])N
2.InChI: InChI=1/C20H18N4O2/c21-19(22)11-1-5-17-13(7-11)9-15(25-17)3-4-16-10-14-8-12(20(23)24)2-6-18(14)26-16/h1-2,5-10H,3-4H2,(H3,21,22)(H3,23,24）
3.InChIKey: YMOFSDWBUFAIRB-UHFFFAOYAX