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1H-Benzimidazole,2-ethyl-1-(methoxymethyl)-

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Name

1H-Benzimidazole,2-ethyl-1-(methoxymethyl)-

EINECS N/A
CAS No. 612049-64-6 Density 1.1 g/cm3
PSA 27.05000 LogP 2.20260
Solubility N/A Melting Point N/A
Formula C11H14N2O Boiling Point 324.1 °C at 760 mmHg
Molecular Weight 190.24 Flash Point 149.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 612049-64-6 (1H-Benzimidazole,2-ethyl-1-(methoxymethyl)-(9CI)) Hazard Symbols N/A
Synonyms

2-Ethyl-1-(methoxymethyl)-1H-benzimidazole;

 

1H-Benzimidazole,2-ethyl-1-(methoxymethyl)- Specification

The 1H-Benzimidazole,2-ethyl-1-(methoxymethyl)- has the CAS registry number 612049-64-6. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C11H14N2O and molecular weight is 190.24. What's more, its systematic name is 2-ethyl-1-(methoxymethyl)-1H-benzimidazole. 

Physical properties of 1H-Benzimidazole,2-ethyl-1-(methoxymethyl)- are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39 ; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 3.88; (6)ACD/BCF (pH 7.4): 33.08; (7)ACD/KOC (pH 5.5): 48.46; (8)ACD/KOC (pH 7.4): 413.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 56.16 cm3; (15)Molar Volume: 172.8 cm3; (16)Polarizability: 22.26×10-24cm3; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 54.36 kJ/mol; (21)Boiling Point: 324.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000475 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)Cn1c2ccccc2nc1CC
(2)InChI: InChI=1S/C11H14N2O/c1-3-11-12-9-6-4-5-7-10(9)13(11)8-14-2/h4-7H,3,8H2,1-2H3
(3)InChIKey: NXTDEEGJOAAVFT-UHFFFAOYSA-N

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