1,2-Di(5-amidino-2-benzofuranyl)ethane supplier

Name
1,2-Di(5-amidino-2-benzofuranyl)ethane
EINECS
CAS No. 66639-67-6
Density 1.44 g/cm³
Solubility
Melting Point
Formula C₂₀H₁₈N₄O₂
Boiling Point 530.6 °C at 760 mmHg
Molecular Weight 346.3825
Flash Point 274.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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);
PSA 126.02000
LogP 5.13240

1,2-Di(5-amidino-2-benzofuranyl)ethane 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

Product Name

1,2-Di(5-amidino-2-benzofuranyl)ethane

1,2-Di(5-amidino-2-benzofuranyl)ethane Specification

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