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110963-63-8

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Basic Information
CAS No.: 110963-63-8
Name: 1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole
Article Data: 10
Molecular Structure:
Molecular Structure of 110963-63-8 (1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole)
Formula: C16H23N3O
Molecular Weight: 273.378
Synonyms: 1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole; 1-(2-Ethoxyethyl)-2-(piperidin-4-yl)-1H-1,3-benzodiazole; 1-(2-Ethoxyethyl)-2-(piperidin-4-yl)-1H-benzo[D]imidazole; 1-(2-ethoxyethyl)-2-piperidin-4-ylbenzimidazole; Bilasten intermediate 2; Bilastine Intermediate 1
EINECS: 1308068-626-2
Density: 1.186 g/cm3
Boiling Point: 452.238 °C at 760 mmHg
Flash Point: 227.306 °C
PSA: 39.08000
LogP: 2.86860
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    MSDS/COA Download

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Specification

The 1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole is an organic compound with the formula C16H23N3O. With the CAS registry number 110963-63-8, the systematic name of this chemical is 1-(2-ethoxyethyl)-2-(piperidin-4-yl)-1H-benzimidazole.

Physical properties about 1-(2-Ethoxy-ethyl)-2-piperidin-4-yl-1H-benzimidazole are: (1)ACD/LogP: 2.39; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 39.08 Å2; (10)Index of Refraction: 1.61; (11)Molar Refractivity: 79.905 cm3; (12)Molar Volume: 230.495 cm3; (13)Polarizability: 31.677×10-24cm3; (14)Surface Tension: 43.814 dyne/cm; (15)Density: 1.186 g/cm3; (16)Flash Point: 227.306 °C; (17)Enthalpy of Vaporization: 71.143 kJ/mol; (18)Boiling Point: 452.238 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOCCn2c(nc1ccccc12)C3CCNCC3
(2)InChI: InChI=1/C16H23N3O/c1-2-20-12-11-19-15-6-4-3-5-14(15)18-16(19)13-7-9-17-10-8-13/h3-6,13,17H,2,7-12H2,1H3
(3)InChIKey: YBJXRWANRTYCJE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C16H23N3O/c1-2-20-12-11-19-15-6-4-3-5-14(15)18-16(19)13-7-9-17-10-8-13/h3-6,13,17H,2,7-12H2,1H3
(5)Std. InChIKey: YBJXRWANRTYCJE-UHFFFAOYSA-N