CAS No.38385-95-4,2-PIPERIDIN-4-YL-1H-BENZOIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38385-95-4
Name:	2-PIPERIDIN-4-YL-1H-BENZOIMIDAZOLE
Article Data:	18

Formula:	C₁₂H₁₅N₃
Molecular Weight:	201.271
Synonyms:	2-(Piperidin-4-yl)benzimidazole;2-Piperidin-4-yl-1H-benzimidazole;4-(Benzimidazol-2-yl)piperidine;2-(4-piperidinyl)-1H-benzimidazole;
EINECS:	609-547-5
Density:	1.168 g/cm³
Melting Point:	230 °C (decomp)(Solv: water (7732-18-5))
Boiling Point:	441.3 °C at 760 mmHg
Flash Point:	220.7 °C
Hazard Symbols:	Xi
PSA:	40.71000
LogP:	2.35870

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Specification

The 1H-Benzimidazole,2-(4-piperidinyl)- is an organic compound with the formula C₁₂H₁₅N₃. The IUPAC name of this chemical is 2-piperidin-4-yl-1H-benzimidazole. With the CAS registry number 38385-95-4, it is also named as 2-(4-Piperidinyl)-1H-benzimidazol.

Physical properties about 1H-Benzimidazole,2-(4-piperidinyl)- are: (1)ACD/LogP: 1.72; (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: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 21.06 Å²; (10)Index of Refraction: 1.628; (11)Molar Refractivity: 61.21 cm³; (12)Molar Volume: 172.3 cm³; (13)Polarizability: 24.26×10^-24cm³; (14)Surface Tension: 52.5 dyne/cm; (15)Density: 1.167 g/cm³; (16)Flash Point: 220.7 °C; (17)Enthalpy of Vaporization: 69.86 kJ/mol; (18)Boiling Point: 441.3 °C at 760 mmHg; (19)Vapour Pressure: 5.48E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1ccccc1nc2C3CCNCC3
(2)InChI: InChI=1/C12H15N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,15)
(3)InChIKey: HBOGHPAOOWUTLB-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H15N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,15)
(5)Std. InChIKey: HBOGHPAOOWUTLB-UHFFFAOYSA-N